diff --git a/Code/DataStructs/MultiFPBReader.cpp b/Code/DataStructs/MultiFPBReader.cpp
index 706687105..566afe8e6 100644
--- a/Code/DataStructs/MultiFPBReader.cpp
+++ b/Code/DataStructs/MultiFPBReader.cpp
@@ -8,8 +8,6 @@
 //  of the RDKit source tree.
 //
 
-#include <boost/tuple/tuple_comparison.hpp>
-
 #include <RDGeneral/Invariant.h>
 #include <RDGeneral/RDThreads.h>
 #ifdef RDK_BUILD_THREADSAFE_SSS
@@ -29,14 +27,14 @@ std::uint8_t *bitsetToBytes(const boost::dynamic_bitset<> &bitset);
 namespace {
 auto tplSorter = [](const MultiFPBReader::ResultTuple &v1,
                     const MultiFPBReader::ResultTuple &v2) {
-  if (v1.get<0>() == v2.get<0>()) {
-    if (v1.get<2>() == v2.get<2>()) {
-      return v1.get<1>() < v2.get<1>();
+  if (std::get<0>(v1) == std::get<0>(v2)) {
+    if (std::get<2>(v1) == std::get<2>(v2)) {
+      return std::get<1>(v1) < std::get<1>(v2);
     } else {
-      return v1.get<2>() < v2.get<2>();
+      return std::get<2>(v1) < std::get<2>(v2);
     }
   } else {
-    return v1.get<0>() > v2.get<0>();
+    return std::get<0>(v1) > std::get<0>(v2);
   }
 };
 
diff --git a/Code/DataStructs/MultiFPBReader.h b/Code/DataStructs/MultiFPBReader.h
index 9e43c5787..61f99ef4d 100644
--- a/Code/DataStructs/MultiFPBReader.h
+++ b/Code/DataStructs/MultiFPBReader.h
@@ -1,5 +1,5 @@
 //
-// Copyright (c) 2016 Greg Landrum
+// Copyright (c) 2016-2022 Greg Landrum
 //
 //  @@ All Rights Reserved @@
 //  This file is part of the RDKit.
@@ -21,7 +21,7 @@
 #include <RDGeneral/Exceptions.h>
 #include <DataStructs/ExplicitBitVect.h>
 #include <DataStructs/FPBReader.h>
-#include <boost/tuple/tuple.hpp>
+#include <tuple>
 
 namespace RDKit {
 
@@ -36,7 +36,7 @@ namespace RDKit {
   MultiFPBReader fpbs(readers);
   fpbs.init();
   boost::shared_ptr<ExplicitBitVect> ebv = fpbs.getReader(0)->getFP(95);
-  std::vector<boost::tuple<double,unsigned int, unsigned int> > nbrs =
+  std::vector<std::tuple<double,unsigned int, unsigned int> > nbrs =
       fpbs.getTanimotoNeighbors(*ebv.get(), 0.70);
   \endcode
 
@@ -52,7 +52,7 @@ namespace RDKit {
 */
 class RDKIT_DATASTRUCTS_EXPORT MultiFPBReader {
  public:
-  typedef boost::tuple<double, unsigned int, unsigned int> ResultTuple;
+  typedef std::tuple<double, unsigned int, unsigned int> ResultTuple;
   MultiFPBReader() {}
 
   /*!
diff --git a/Code/DataStructs/Wrap/wrap_FPB.cpp b/Code/DataStructs/Wrap/wrap_FPB.cpp
index 906296f95..81c6ba2ca 100644
--- a/Code/DataStructs/Wrap/wrap_FPB.cpp
+++ b/Code/DataStructs/Wrap/wrap_FPB.cpp
@@ -58,7 +58,8 @@ python::tuple multiTaniNbrHelper(const MultiFPBReader *self,
       self->getTanimotoNeighbors(bv, threshold, numThreads);
   python::list result;
   for (auto &nbr : nbrs) {
-    result.append(python::make_tuple(nbr.get<0>(), nbr.get<1>(), nbr.get<2>()));
+    result.append(python::make_tuple(std::get<0>(nbr), std::get<1>(nbr),
+                                     std::get<2>(nbr)));
   }
   return python::tuple(result);
 }
@@ -71,7 +72,8 @@ python::tuple multiTverskyNbrHelper(const MultiFPBReader *self,
       self->getTverskyNeighbors(bv, ca, cb, threshold, numThreads);
   python::list result;
   for (auto &nbr : nbrs) {
-    result.append(python::make_tuple(nbr.get<0>(), nbr.get<1>(), nbr.get<2>()));
+    result.append(python::make_tuple(std::get<0>(nbr), std::get<1>(nbr),
+                                     std::get<2>(nbr)));
   }
   return python::tuple(result);
 }
diff --git a/Code/DataStructs/testMultiFPB.cpp b/Code/DataStructs/testMultiFPB.cpp
index d8a44b310..2e0c0e003 100644
--- a/Code/DataStructs/testMultiFPB.cpp
+++ b/Code/DataStructs/testMultiFPB.cpp
@@ -75,12 +75,12 @@ void test2MultiFPBReaderTanimoto() {
       std::vector<MultiFPBReader::ResultTuple> nbrs =
           mfps.getTanimotoNeighbors(bytes);
       TEST_ASSERT(nbrs.size() == 2);
-      TEST_ASSERT(feq(nbrs[0].get<0>(), 1.));
-      TEST_ASSERT(nbrs[0].get<1>() == 0);
-      TEST_ASSERT(nbrs[0].get<2>() == 0);
-      TEST_ASSERT(feq(nbrs[1].get<0>(), 1.));
-      TEST_ASSERT(nbrs[1].get<1>() == 0);
-      TEST_ASSERT(nbrs[1].get<2>() == 1);
+      TEST_ASSERT(feq(std::get<0>(nbrs[0]), 1.));
+      TEST_ASSERT(std::get<1>(nbrs[0]) == 0);
+      TEST_ASSERT(std::get<2>(nbrs[0]) == 0);
+      TEST_ASSERT(feq(std::get<0>(nbrs[1]), 1.));
+      TEST_ASSERT(std::get<1>(nbrs[1]) == 0);
+      TEST_ASSERT(std::get<2>(nbrs[1]) == 1);
     }
     {  // with a threshold
       boost::shared_array<std::uint8_t> bytes = mfps.getReader(0)->getBytes(0);
@@ -88,15 +88,15 @@ void test2MultiFPBReaderTanimoto() {
       std::vector<MultiFPBReader::ResultTuple> nbrs =
           mfps.getTanimotoNeighbors(bytes, 0.30);
       TEST_ASSERT(nbrs.size() == 10);
-      TEST_ASSERT(feq(nbrs[0].get<0>(), 1.));
-      TEST_ASSERT(nbrs[0].get<1>() == 0);
-      TEST_ASSERT(nbrs[0].get<2>() == 0);
-      TEST_ASSERT(feq(nbrs[1].get<0>(), 1.));
-      TEST_ASSERT(nbrs[1].get<1>() == 0);
-      TEST_ASSERT(nbrs[1].get<2>() == 1);
-      TEST_ASSERT(feq(nbrs[2].get<0>(), 0.3703));
-      TEST_ASSERT(nbrs[2].get<1>() == 1);
-      TEST_ASSERT(nbrs[2].get<2>() == 0);
+      TEST_ASSERT(feq(std::get<0>(nbrs[0]), 1.));
+      TEST_ASSERT(std::get<1>(nbrs[0]) == 0);
+      TEST_ASSERT(std::get<2>(nbrs[0]) == 0);
+      TEST_ASSERT(feq(std::get<0>(nbrs[1]), 1.));
+      TEST_ASSERT(std::get<1>(nbrs[1]) == 0);
+      TEST_ASSERT(std::get<2>(nbrs[1]) == 1);
+      TEST_ASSERT(feq(std::get<0>(nbrs[2]), 0.3703));
+      TEST_ASSERT(std::get<1>(nbrs[2]) == 1);
+      TEST_ASSERT(std::get<2>(nbrs[2]) == 0);
     }
     {  // with a threshold
       boost::shared_array<std::uint8_t> bytes = mfps.getReader(0)->getBytes(95);
@@ -104,15 +104,15 @@ void test2MultiFPBReaderTanimoto() {
       std::vector<MultiFPBReader::ResultTuple> nbrs =
           mfps.getTanimotoNeighbors(bytes, 0.30);
       TEST_ASSERT(nbrs.size() == 4);
-      TEST_ASSERT(feq(nbrs[0].get<0>(), 1.));
-      TEST_ASSERT(nbrs[0].get<1>() == 95);
-      TEST_ASSERT(nbrs[0].get<2>() == 0);
-      TEST_ASSERT(feq(nbrs[1].get<0>(), 1.));
-      TEST_ASSERT(nbrs[1].get<1>() == 95);
-      TEST_ASSERT(nbrs[1].get<2>() == 1);
-      TEST_ASSERT(feq(nbrs[2].get<0>(), 0.4125));
-      TEST_ASSERT(nbrs[2].get<1>() == 89);
-      TEST_ASSERT(nbrs[2].get<2>() == 0);
+      TEST_ASSERT(feq(std::get<0>(nbrs[0]), 1.));
+      TEST_ASSERT(std::get<1>(nbrs[0]) == 95);
+      TEST_ASSERT(std::get<2>(nbrs[0]) == 0);
+      TEST_ASSERT(feq(std::get<0>(nbrs[1]), 1.));
+      TEST_ASSERT(std::get<1>(nbrs[1]) == 95);
+      TEST_ASSERT(std::get<2>(nbrs[1]) == 1);
+      TEST_ASSERT(feq(std::get<0>(nbrs[2]), 0.4125));
+      TEST_ASSERT(std::get<1>(nbrs[2]) == 89);
+      TEST_ASSERT(std::get<2>(nbrs[2]) == 0);
     }
   }
   BOOST_LOG(rdInfoLog) << "Finished" << std::endl;
@@ -140,12 +140,12 @@ void test3MultiFPBReaderTversky() {
       std::vector<MultiFPBReader::ResultTuple> nbrs =
           mfps.getTverskyNeighbors(bytes, 1., 1.);
       TEST_ASSERT(nbrs.size() == 2);
-      TEST_ASSERT(feq(nbrs[0].get<0>(), 1.));
-      TEST_ASSERT(nbrs[0].get<1>() == 0);
-      TEST_ASSERT(nbrs[0].get<2>() == 0);
-      TEST_ASSERT(feq(nbrs[1].get<0>(), 1.));
-      TEST_ASSERT(nbrs[1].get<1>() == 0);
-      TEST_ASSERT(nbrs[1].get<2>() == 1);
+      TEST_ASSERT(feq(std::get<0>(nbrs[0]), 1.));
+      TEST_ASSERT(std::get<1>(nbrs[0]) == 0);
+      TEST_ASSERT(std::get<2>(nbrs[0]) == 0);
+      TEST_ASSERT(feq(std::get<0>(nbrs[1]), 1.));
+      TEST_ASSERT(std::get<1>(nbrs[1]) == 0);
+      TEST_ASSERT(std::get<2>(nbrs[1]) == 1);
     }
     {  // with a threshold
       boost::shared_array<std::uint8_t> bytes = mfps.getReader(0)->getBytes(0);
@@ -153,15 +153,15 @@ void test3MultiFPBReaderTversky() {
       std::vector<MultiFPBReader::ResultTuple> nbrs =
           mfps.getTverskyNeighbors(bytes, 1., 1., 0.30);
       TEST_ASSERT(nbrs.size() == 10);
-      TEST_ASSERT(feq(nbrs[0].get<0>(), 1.));
-      TEST_ASSERT(nbrs[0].get<1>() == 0);
-      TEST_ASSERT(nbrs[0].get<2>() == 0);
-      TEST_ASSERT(feq(nbrs[1].get<0>(), 1.));
-      TEST_ASSERT(nbrs[1].get<1>() == 0);
-      TEST_ASSERT(nbrs[1].get<2>() == 1);
-      TEST_ASSERT(feq(nbrs[2].get<0>(), 0.3703));
-      TEST_ASSERT(nbrs[2].get<1>() == 1);
-      TEST_ASSERT(nbrs[2].get<2>() == 0);
+      TEST_ASSERT(feq(std::get<0>(nbrs[0]), 1.));
+      TEST_ASSERT(std::get<1>(nbrs[0]) == 0);
+      TEST_ASSERT(std::get<2>(nbrs[0]) == 0);
+      TEST_ASSERT(feq(std::get<0>(nbrs[1]), 1.));
+      TEST_ASSERT(std::get<1>(nbrs[1]) == 0);
+      TEST_ASSERT(std::get<2>(nbrs[1]) == 1);
+      TEST_ASSERT(feq(std::get<0>(nbrs[2]), 0.3703));
+      TEST_ASSERT(std::get<1>(nbrs[2]) == 1);
+      TEST_ASSERT(std::get<2>(nbrs[2]) == 0);
     }
     {  // with a threshold, asymmetric
       boost::shared_array<std::uint8_t> bytes = mfps.getReader(0)->getBytes(0);
@@ -169,15 +169,15 @@ void test3MultiFPBReaderTversky() {
       std::vector<MultiFPBReader::ResultTuple> nbrs =
           mfps.getTverskyNeighbors(bytes, 1., 0.5, 0.30);
       TEST_ASSERT(nbrs.size() == 10);
-      TEST_ASSERT(feq(nbrs[0].get<0>(), 1.));
-      TEST_ASSERT(nbrs[0].get<1>() == 0);
-      TEST_ASSERT(nbrs[0].get<2>() == 0);
-      TEST_ASSERT(feq(nbrs[1].get<0>(), 1.));
-      TEST_ASSERT(nbrs[1].get<1>() == 0);
-      TEST_ASSERT(nbrs[1].get<2>() == 1);
-      TEST_ASSERT(feq(nbrs[2].get<0>(), 0.4255));
-      TEST_ASSERT(nbrs[2].get<1>() == 1);
-      TEST_ASSERT(nbrs[2].get<2>() == 0);
+      TEST_ASSERT(feq(std::get<0>(nbrs[0]), 1.));
+      TEST_ASSERT(std::get<1>(nbrs[0]) == 0);
+      TEST_ASSERT(std::get<2>(nbrs[0]) == 0);
+      TEST_ASSERT(feq(std::get<0>(nbrs[1]), 1.));
+      TEST_ASSERT(std::get<1>(nbrs[1]) == 0);
+      TEST_ASSERT(std::get<2>(nbrs[1]) == 1);
+      TEST_ASSERT(feq(std::get<0>(nbrs[2]), 0.4255));
+      TEST_ASSERT(std::get<1>(nbrs[2]) == 1);
+      TEST_ASSERT(std::get<2>(nbrs[2]) == 0);
     }
   }
   BOOST_LOG(rdInfoLog) << "Finished" << std::endl;
@@ -263,27 +263,28 @@ void test5MultiFPBReaderThreaded() {
           mfps.getTanimotoNeighbors(qbv, 0.6);
       TEST_ASSERT(nbrs.size() == 6);
       // for (unsigned int i = 0; i < nbrs.size(); ++i) {
-      //   std::cerr << i << ": " << nbrs[i].get<0>() << " " << nbrs[i].get<1>()
-      //             << " " << nbrs[i].get<2>() << " " << std::endl;
+      //   std::cerr << i << ": " << std::get<0>(nbrs[i]) << " " <<
+      //   std::get<1>(nbrs[i])
+      //             << " " << std::get<2>(nbrs[i]) << " " << std::endl;
       // }
-      TEST_ASSERT(feq(nbrs[0].get<0>(), 0.66412));
-      TEST_ASSERT(nbrs[0].get<1>() == 0);
-      TEST_ASSERT(nbrs[0].get<2>() == 3);
-      TEST_ASSERT(feq(nbrs[1].get<0>(), 0.65289));
-      TEST_ASSERT(nbrs[1].get<1>() == 1);
-      TEST_ASSERT(nbrs[1].get<2>() == 2);
-      TEST_ASSERT(feq(nbrs[2].get<0>(), 0.64341));
-      TEST_ASSERT(nbrs[2].get<1>() == 2);
-      TEST_ASSERT(nbrs[2].get<2>() == 1);
-      TEST_ASSERT(feq(nbrs[3].get<0>(), 0.61940));
-      TEST_ASSERT(nbrs[3].get<1>() == 1);
-      TEST_ASSERT(nbrs[3].get<2>() == 0);
-      TEST_ASSERT(feq(nbrs[4].get<0>(), 0.61905));
-      TEST_ASSERT(nbrs[4].get<1>() == 0);
-      TEST_ASSERT(nbrs[4].get<2>() == 0);
-      TEST_ASSERT(feq(nbrs[5].get<0>(), 0.61344));
-      TEST_ASSERT(nbrs[5].get<1>() == 0);
-      TEST_ASSERT(nbrs[5].get<2>() == 1);
+      TEST_ASSERT(feq(std::get<0>(nbrs[0]), 0.66412));
+      TEST_ASSERT(std::get<1>(nbrs[0]) == 0);
+      TEST_ASSERT(std::get<2>(nbrs[0]) == 3);
+      TEST_ASSERT(feq(std::get<0>(nbrs[1]), 0.65289));
+      TEST_ASSERT(std::get<1>(nbrs[1]) == 1);
+      TEST_ASSERT(std::get<2>(nbrs[1]) == 2);
+      TEST_ASSERT(feq(std::get<0>(nbrs[2]), 0.64341));
+      TEST_ASSERT(std::get<1>(nbrs[2]) == 2);
+      TEST_ASSERT(std::get<2>(nbrs[2]) == 1);
+      TEST_ASSERT(feq(std::get<0>(nbrs[3]), 0.61940));
+      TEST_ASSERT(std::get<1>(nbrs[3]) == 1);
+      TEST_ASSERT(std::get<2>(nbrs[3]) == 0);
+      TEST_ASSERT(feq(std::get<0>(nbrs[4]), 0.61905));
+      TEST_ASSERT(std::get<1>(nbrs[4]) == 0);
+      TEST_ASSERT(std::get<2>(nbrs[4]) == 0);
+      TEST_ASSERT(feq(std::get<0>(nbrs[5]), 0.61344));
+      TEST_ASSERT(std::get<1>(nbrs[5]) == 0);
+      TEST_ASSERT(std::get<2>(nbrs[5]) == 1);
     }
 
 #ifdef RDK_TEST_MULTITHREADED
@@ -291,47 +292,47 @@ void test5MultiFPBReaderThreaded() {
       std::vector<MultiFPBReader::ResultTuple> nbrs =
           mfps.getTanimotoNeighbors(qbv, 0.6, 4);
       TEST_ASSERT(nbrs.size() == 6);
-      TEST_ASSERT(feq(nbrs[0].get<0>(), 0.66412));
-      TEST_ASSERT(nbrs[0].get<1>() == 0);
-      TEST_ASSERT(nbrs[0].get<2>() == 3);
-      TEST_ASSERT(feq(nbrs[1].get<0>(), 0.65289));
-      TEST_ASSERT(nbrs[1].get<1>() == 1);
-      TEST_ASSERT(nbrs[1].get<2>() == 2);
-      TEST_ASSERT(feq(nbrs[2].get<0>(), 0.64341));
-      TEST_ASSERT(nbrs[2].get<1>() == 2);
-      TEST_ASSERT(nbrs[2].get<2>() == 1);
-      TEST_ASSERT(feq(nbrs[3].get<0>(), 0.61940));
-      TEST_ASSERT(nbrs[3].get<1>() == 1);
-      TEST_ASSERT(nbrs[3].get<2>() == 0);
-      TEST_ASSERT(feq(nbrs[4].get<0>(), 0.61905));
-      TEST_ASSERT(nbrs[4].get<1>() == 0);
-      TEST_ASSERT(nbrs[4].get<2>() == 0);
-      TEST_ASSERT(feq(nbrs[5].get<0>(), 0.61344));
-      TEST_ASSERT(nbrs[5].get<1>() == 0);
-      TEST_ASSERT(nbrs[5].get<2>() == 1);
+      TEST_ASSERT(feq(std::get<0>(nbrs[0]), 0.66412));
+      TEST_ASSERT(std::get<1>(nbrs[0]) == 0);
+      TEST_ASSERT(std::get<2>(nbrs[0]) == 3);
+      TEST_ASSERT(feq(std::get<0>(nbrs[1]), 0.65289));
+      TEST_ASSERT(std::get<1>(nbrs[1]) == 1);
+      TEST_ASSERT(std::get<2>(nbrs[1]) == 2);
+      TEST_ASSERT(feq(std::get<0>(nbrs[2]), 0.64341));
+      TEST_ASSERT(std::get<1>(nbrs[2]) == 2);
+      TEST_ASSERT(std::get<2>(nbrs[2]) == 1);
+      TEST_ASSERT(feq(std::get<0>(nbrs[3]), 0.61940));
+      TEST_ASSERT(std::get<1>(nbrs[3]) == 1);
+      TEST_ASSERT(std::get<2>(nbrs[3]) == 0);
+      TEST_ASSERT(feq(std::get<0>(nbrs[4]), 0.61905));
+      TEST_ASSERT(std::get<1>(nbrs[4]) == 0);
+      TEST_ASSERT(std::get<2>(nbrs[4]) == 0);
+      TEST_ASSERT(feq(std::get<0>(nbrs[5]), 0.61344));
+      TEST_ASSERT(std::get<1>(nbrs[5]) == 0);
+      TEST_ASSERT(std::get<2>(nbrs[5]) == 1);
     }
     {  // request more threads than we have readers, this shouldn't be a problem
       std::vector<MultiFPBReader::ResultTuple> nbrs =
           mfps.getTanimotoNeighbors(qbv, 0.6, 8);
       TEST_ASSERT(nbrs.size() == 6);
-      TEST_ASSERT(feq(nbrs[0].get<0>(), 0.66412));
-      TEST_ASSERT(nbrs[0].get<1>() == 0);
-      TEST_ASSERT(nbrs[0].get<2>() == 3);
-      TEST_ASSERT(feq(nbrs[1].get<0>(), 0.65289));
-      TEST_ASSERT(nbrs[1].get<1>() == 1);
-      TEST_ASSERT(nbrs[1].get<2>() == 2);
-      TEST_ASSERT(feq(nbrs[2].get<0>(), 0.64341));
-      TEST_ASSERT(nbrs[2].get<1>() == 2);
-      TEST_ASSERT(nbrs[2].get<2>() == 1);
-      TEST_ASSERT(feq(nbrs[3].get<0>(), 0.61940));
-      TEST_ASSERT(nbrs[3].get<1>() == 1);
-      TEST_ASSERT(nbrs[3].get<2>() == 0);
-      TEST_ASSERT(feq(nbrs[4].get<0>(), 0.61905));
-      TEST_ASSERT(nbrs[4].get<1>() == 0);
-      TEST_ASSERT(nbrs[4].get<2>() == 0);
-      TEST_ASSERT(feq(nbrs[5].get<0>(), 0.61344));
-      TEST_ASSERT(nbrs[5].get<1>() == 0);
-      TEST_ASSERT(nbrs[5].get<2>() == 1);
+      TEST_ASSERT(feq(std::get<0>(nbrs[0]), 0.66412));
+      TEST_ASSERT(std::get<1>(nbrs[0]) == 0);
+      TEST_ASSERT(std::get<2>(nbrs[0]) == 3);
+      TEST_ASSERT(feq(std::get<0>(nbrs[1]), 0.65289));
+      TEST_ASSERT(std::get<1>(nbrs[1]) == 1);
+      TEST_ASSERT(std::get<2>(nbrs[1]) == 2);
+      TEST_ASSERT(feq(std::get<0>(nbrs[2]), 0.64341));
+      TEST_ASSERT(std::get<1>(nbrs[2]) == 2);
+      TEST_ASSERT(std::get<2>(nbrs[2]) == 1);
+      TEST_ASSERT(feq(std::get<0>(nbrs[3]), 0.61940));
+      TEST_ASSERT(std::get<1>(nbrs[3]) == 1);
+      TEST_ASSERT(std::get<2>(nbrs[3]) == 0);
+      TEST_ASSERT(feq(std::get<0>(nbrs[4]), 0.61905));
+      TEST_ASSERT(std::get<1>(nbrs[4]) == 0);
+      TEST_ASSERT(std::get<2>(nbrs[4]) == 0);
+      TEST_ASSERT(feq(std::get<0>(nbrs[5]), 0.61344));
+      TEST_ASSERT(std::get<1>(nbrs[5]) == 0);
+      TEST_ASSERT(std::get<2>(nbrs[5]) == 1);
     }
 
 #endif
diff --git a/Code/ForceField/MMFF/TorsionAngle.cpp b/Code/ForceField/MMFF/TorsionAngle.cpp
index 7921ce14c..8e65b39dd 100644
--- a/Code/ForceField/MMFF/TorsionAngle.cpp
+++ b/Code/ForceField/MMFF/TorsionAngle.cpp
@@ -1,8 +1,5 @@
-// $Id$
 //
-//  Copyright (C) 2013 Paolo Tosco
-//
-//  Copyright (C) 2004-2006 Rational Discovery LLC
+//  Copyright (C) 2013-2022 Paolo Tosco and other RDKit contributors
 //
 //   @@ All Rights Reserved @@
 //  This file is part of the RDKit.
@@ -35,10 +32,10 @@ double calcTorsionCosPhi(const RDGeom::Point3D &iPoint,
   return cosPhi;
 }
 
-boost::tuple<double, double, double> calcTorsionForceConstant(
+std::tuple<double, double, double> calcTorsionForceConstant(
     const MMFFTor *mmffTorParams) {
-  return boost::make_tuple(mmffTorParams->V1, mmffTorParams->V2,
-                           mmffTorParams->V3);
+  return std::make_tuple(mmffTorParams->V1, mmffTorParams->V2,
+                         mmffTorParams->V3);
 }
 
 double calcTorsionEnergy(const double V1, const double V2, const double V3,
diff --git a/Code/ForceField/MMFF/TorsionAngle.h b/Code/ForceField/MMFF/TorsionAngle.h
index c0b6cbe01..a4009ecc5 100644
--- a/Code/ForceField/MMFF/TorsionAngle.h
+++ b/Code/ForceField/MMFF/TorsionAngle.h
@@ -1,7 +1,5 @@
 //
-//  Copyright (C) 2013 Paolo Tosco
-//
-//  Copyright (C) 2004-2006 Rational Discovery LLC
+//  Copyright (C) 2013-2022 Paolo Tosco and other RDKit contributors
 //
 //   @@ All Rights Reserved @@
 //  This file is part of the RDKit.
@@ -10,11 +8,11 @@
 //  of the RDKit source tree.
 //
 #include <RDGeneral/export.h>
-#ifndef __RD_MMFFTORSIONANGLE_H__
-#define __RD_MMFFTORSIONANGLE_H__
+#ifndef RD_MMFFTORSIONANGLE_H
+#define RD_MMFFTORSIONANGLE_H
 
 #include <ForceField/Contrib.h>
-#include <boost/tuple/tuple.hpp>
+#include <tuple>
 
 namespace RDGeom {
 class Point3D;
@@ -62,7 +60,7 @@ RDKIT_FORCEFIELD_EXPORT double calcTorsionCosPhi(const RDGeom::Point3D &iPoint,
                                                  const RDGeom::Point3D &kPoint,
                                                  const RDGeom::Point3D &lPoint);
 //! returns the 3-tuple of a torsion angle force constants
-RDKIT_FORCEFIELD_EXPORT boost::tuple<double, double, double>
+RDKIT_FORCEFIELD_EXPORT std::tuple<double, double, double>
 calcTorsionForceConstant(const MMFFTor *mmffTorParams);
 //! calculates and returns the torsional MMFF energy
 RDKIT_FORCEFIELD_EXPORT double calcTorsionEnergy(const double V1,
diff --git a/Code/ForceField/UFF/Inversion.cpp b/Code/ForceField/UFF/Inversion.cpp
index cae0bbf00..e00b2775c 100644
--- a/Code/ForceField/UFF/Inversion.cpp
+++ b/Code/ForceField/UFF/Inversion.cpp
@@ -1,8 +1,5 @@
-// $Id$
 //
-//  Copyright (C) 2013 Paolo Tosco
-//
-//  Copyright (C) 2004-2006 Rational Discovery LLC
+//  Copyright (C) 2013 Paolo Tosco and other RDKit contributors
 //
 //   @@ All Rights Reserved @@
 //  This file is part of the RDKit.
@@ -38,7 +35,7 @@ double calculateCosY(const RDGeom::Point3D &iPoint,
   return n.dotProduct(rJL);
 }
 
-boost::tuple<double, double, double, double>
+std::tuple<double, double, double, double>
 calcInversionCoefficientsAndForceConstant(int at2AtomicNum, bool isCBoundToO) {
   double res = 0.0;
   double C0 = 0.0;
@@ -82,7 +79,7 @@ calcInversionCoefficientsAndForceConstant(int at2AtomicNum, bool isCBoundToO) {
   }
   res /= 3.0;
 
-  return boost::make_tuple(res, C0, C1, C2);
+  return std::make_tuple(res, C0, C1, C2);
 }
 }  // end of namespace Utils
 
@@ -103,14 +100,12 @@ InversionContrib::InversionContrib(ForceField *owner, unsigned int idx1,
   d_at3Idx = idx3;
   d_at4Idx = idx4;
 
-  boost::tuple<double, double, double, double> invCoeffForceCon =
-      Utils::calcInversionCoefficientsAndForceConstant(at2AtomicNum,
-                                                       isCBoundToO);
-  d_forceConstant =
-      oobForceScalingFactor * boost::tuples::get<0>(invCoeffForceCon);
-  d_C0 = boost::tuples::get<1>(invCoeffForceCon);
-  d_C1 = boost::tuples::get<2>(invCoeffForceCon);
-  d_C2 = boost::tuples::get<3>(invCoeffForceCon);
+  auto invCoeffForceCon = Utils::calcInversionCoefficientsAndForceConstant(
+      at2AtomicNum, isCBoundToO);
+  d_forceConstant = oobForceScalingFactor * std::get<0>(invCoeffForceCon);
+  d_C0 = std::get<1>(invCoeffForceCon);
+  d_C1 = std::get<2>(invCoeffForceCon);
+  d_C2 = std::get<3>(invCoeffForceCon);
 }
 
 double InversionContrib::getEnergy(double *pos) const {
diff --git a/Code/ForceField/UFF/Inversion.h b/Code/ForceField/UFF/Inversion.h
index 42c6f92ea..c259526d9 100644
--- a/Code/ForceField/UFF/Inversion.h
+++ b/Code/ForceField/UFF/Inversion.h
@@ -1,7 +1,5 @@
 //
-//  Copyright (C) 2013 Paolo Tosco
-//
-//  Copyright (C) 2004-2006 Rational Discovery LLC
+//  Copyright (C) 2013 Paolo Tosco and other RDKit contributors
 //
 //   @@ All Rights Reserved @@
 //  This file is part of the RDKit.
@@ -10,10 +8,10 @@
 //  of the RDKit source tree.
 //
 #include <RDGeneral/export.h>
-#ifndef __RD_UFFINVERSION_H__
-#define __RD_UFFINVERSION_H__
+#ifndef RD_UFFINVERSION_H
+#define RD_UFFINVERSION_H
 #include <ForceField/Contrib.h>
-#include <boost/tuple/tuple.hpp>
+#include <tuple>
 #include <Geometry/point.h>
 
 namespace ForceFields {
@@ -73,7 +71,7 @@ RDKIT_FORCEFIELD_EXPORT double calculateCosY(const RDGeom::Point3D &iPoint,
   \return the force constant
 
 */
-RDKIT_FORCEFIELD_EXPORT boost::tuple<double, double, double, double>
+RDKIT_FORCEFIELD_EXPORT std::tuple<double, double, double, double>
 calcInversionCoefficientsAndForceConstant(int at2AtomicNum, bool isCBoundToO);
 }  // namespace Utils
 }  // namespace UFF
diff --git a/Code/GraphMol/Canon.cpp b/Code/GraphMol/Canon.cpp
index 5ba811ae5..b1c665fe8 100644
--- a/Code/GraphMol/Canon.cpp
+++ b/Code/GraphMol/Canon.cpp
@@ -80,7 +80,7 @@ bool chiralAtomNeedsTagInversion(const RDKit::ROMol &mol,
 }
 
 auto _possibleCompare = [](const PossibleType &arg1, const PossibleType &arg2) {
-  return (arg1.get<0>() < arg2.get<0>());
+  return (std::get<0>(arg1) < std::get<0>(arg2));
 };
 
 bool checkBondsInSameBranch(MolStack &molStack, Bond *dblBnd, Bond *dirBnd) {
@@ -654,16 +654,16 @@ void dfsFindCycles(ROMol &mol, int atomIdx, int inBondIdx,
   std::sort(possibles.begin(), possibles.end(), _possibleCompare);
   // if (possibles.size())
   //   std::cerr << " aIdx1: " << atomIdx
-  //             << " first: " << possibles.front().get<0>() << " "
-  //             << possibles.front().get<1>() << std::endl;
+  //             << " first: " << possibles.front()std:std::get<0>() << " "
+  //             << possibles.front()std:std::get<1>() << std::endl;
   // // ---------------------
   //
   //  Now work the children
   //
   // ---------------------
   for (auto &possible : possibles) {
-    int possibleIdx = possible.get<1>();
-    Bond *bond = possible.get<2>();
+    int possibleIdx = std::get<1>(possible);
+    Bond *bond = std::get<2>(possible);
     switch (colors[possibleIdx]) {
       case WHITE_NODE:
         // -----
@@ -825,8 +825,8 @@ void dfsBuildStack(ROMol &mol, int atomIdx, int inBondIdx,
   std::sort(possibles.begin(), possibles.end(), _possibleCompare);
   // if (possibles.size())
   //   std::cerr << " aIdx2: " << atomIdx
-  //             << " first: " << possibles.front().get<0>() << " "
-  //             << possibles.front().get<1>() << std::endl;
+  //             << " first: " << possibles.front()std:std::get<0>() << " "
+  //             << possibles.front()std:std::get<1>() << std::endl;
 
   // ---------------------
   //
@@ -835,14 +835,14 @@ void dfsBuildStack(ROMol &mol, int atomIdx, int inBondIdx,
   // ---------------------
   for (auto possiblesIt = possibles.begin(); possiblesIt != possibles.end();
        possiblesIt++) {
-    int possibleIdx = possiblesIt->get<1>();
+    int possibleIdx = std::get<1>(*possiblesIt);
     if (colors[possibleIdx] != WHITE_NODE) {
       // we're either done or it's a ring-closure, which we already processed...
       // this test isn't strictly required, because we only added WHITE notes to
       // the possibles list, but it seems logical to document it
       continue;
     }
-    Bond *bond = possiblesIt->get<2>();
+    Bond *bond = std::get<2>(*possiblesIt);
     Atom *otherAtom = mol.getAtomWithIdx(possibleIdx);
     // ww might have some residual data from earlier calls, clean that up:
     otherAtom->clearProp(common_properties::_TraversalBondIndexOrder);
diff --git a/Code/GraphMol/Canon.h b/Code/GraphMol/Canon.h
index 42ea0974b..a51320fad 100644
--- a/Code/GraphMol/Canon.h
+++ b/Code/GraphMol/Canon.h
@@ -1,5 +1,5 @@
 //
-//  Copyright (C) 2004-2006 Rational Discovery LLC
+//  Copyright (C) 2004-2022 Greg Landrum and other RDKit contributors
 //
 //   @@ All Rights Reserved @@
 //  This file is part of the RDKit.
@@ -8,11 +8,11 @@
 //  of the RDKit source tree.
 //
 #include <RDGeneral/export.h>
-#ifndef _RD_CANON_H_
-#define _RD_CANON_H_
+#ifndef RD_CANON_H
+#define RD_CANON_H
 
 #include <RDGeneral/BoostStartInclude.h>
-#include <boost/tuple/tuple.hpp>
+#include <tuple>
 #include <boost/dynamic_bitset.hpp>
 #include <RDGeneral/BoostEndInclude.h>
 
@@ -95,7 +95,7 @@ class RDKIT_GRAPHMOL_EXPORT MolStackElem {
 typedef std::vector<MolStackElem> MolStack;
 
 //! used to represent possible branches from an atom
-typedef boost::tuple<int, int, Bond *> PossibleType;
+typedef std::tuple<int, int, Bond *> PossibleType;
 
 //! constructs the canonical traversal order for a molecular fragment
 /*!
diff --git a/Code/GraphMol/Fingerprints/FingerprintUtil.cpp b/Code/GraphMol/Fingerprints/FingerprintUtil.cpp
index 89b27fc2b..93d9952e2 100644
--- a/Code/GraphMol/Fingerprints/FingerprintUtil.cpp
+++ b/Code/GraphMol/Fingerprints/FingerprintUtil.cpp
@@ -18,8 +18,6 @@
 #include <GraphMol/SmilesParse/SmilesParse.h>
 #include <GraphMol/Substruct/SubstructMatch.h>
 #include <boost/dynamic_bitset.hpp>
-#include <boost/tuple/tuple.hpp>
-#include <boost/tuple/tuple_comparison.hpp>
 #include <algorithm>
 #include <RDGeneral/BoostStartInclude.h>
 #include <boost/flyweight.hpp>
diff --git a/Code/GraphMol/Fingerprints/FingerprintUtil.h b/Code/GraphMol/Fingerprints/FingerprintUtil.h
index e3c52e6f6..7bf8df7a7 100644
--- a/Code/GraphMol/Fingerprints/FingerprintUtil.h
+++ b/Code/GraphMol/Fingerprints/FingerprintUtil.h
@@ -16,7 +16,7 @@
 #include <DataStructs/SparseIntVect.h>
 #include <DataStructs/BitVects.h>
 #include <cstdint>
-
+#include <tuple>
 #include <vector>
 #include <map>
 #include <DataStructs/ExplicitBitVect.h>
@@ -95,8 +95,7 @@ class RDKIT_FINGERPRINTS_EXPORT ss_matcher {
   RDKit::ROMOL_SPTR m_matcher;
 };
 
-typedef boost::tuple<boost::dynamic_bitset<>, uint32_t, unsigned int>
-    AccumTuple;
+typedef std::tuple<boost::dynamic_bitset<>, uint32_t, unsigned int> AccumTuple;
 
 RDKIT_FINGERPRINTS_EXPORT extern std::vector<std::string> defaultFeatureSmarts;
 
diff --git a/Code/GraphMol/Fingerprints/MorganFingerprints.cpp b/Code/GraphMol/Fingerprints/MorganFingerprints.cpp
index c3f6defae..edbdd7251 100644
--- a/Code/GraphMol/Fingerprints/MorganFingerprints.cpp
+++ b/Code/GraphMol/Fingerprints/MorganFingerprints.cpp
@@ -41,8 +41,6 @@
 
 #include <RDGeneral/BoostStartInclude.h>
 #include <boost/dynamic_bitset.hpp>
-#include <boost/tuple/tuple.hpp>
-#include <boost/tuple/tuple_comparison.hpp>
 #include <RDGeneral/BoostEndInclude.h>
 
 #include <algorithm>
@@ -245,8 +243,8 @@ void calcFingerprint(const ROMol &mol, unsigned int radius,
         }
         roundInvariants[atomIdx] = static_cast<uint32_t>(invar);
         neighborhoodsThisRound.push_back(
-            boost::make_tuple(roundAtomNeighborhoods[atomIdx],
-                              static_cast<uint32_t>(invar), atomIdx));
+            std::make_tuple(roundAtomNeighborhoods[atomIdx],
+                            static_cast<uint32_t>(invar), atomIdx));
         if (!includeRedundantEnvironments &&
             std::find(neighborhoods.begin(), neighborhoods.end(),
                       roundAtomNeighborhoods[atomIdx]) != neighborhoods.end()) {
@@ -265,28 +263,28 @@ void calcFingerprint(const ROMol &mol, unsigned int radius,
       // fingerprint:
       if (includeRedundantEnvironments ||
           std::find(neighborhoods.begin(), neighborhoods.end(),
-                    iter->get<0>()) == neighborhoods.end()) {
-        if (!onlyNonzeroInvariants || invariantCpy[iter->get<2>()]) {
-          if (includeAtoms[iter->get<2>()]) {
-            uint32_t bit = updateElement(res, iter->get<1>(), useCounts);
+                    std::get<0>(*iter)) == neighborhoods.end()) {
+        if (!onlyNonzeroInvariants || invariantCpy[std::get<2>(*iter)]) {
+          if (includeAtoms[std::get<2>(*iter)]) {
+            uint32_t bit = updateElement(res, std::get<1>(*iter), useCounts);
             if (atomsSettingBits) {
               (*atomsSettingBits)[bit].push_back(
-                  std::make_pair(iter->get<2>(), layer + 1));
+                  std::make_pair(std::get<2>(*iter), layer + 1));
             }
           }
           if (!fromAtoms || std::find(fromAtoms->begin(), fromAtoms->end(),
-                                      iter->get<2>()) != fromAtoms->end()) {
-            neighborhoods.push_back(iter->get<0>());
+                                      std::get<2>(*iter)) != fromAtoms->end()) {
+            neighborhoods.push_back(std::get<0>(*iter));
           }
         }
-        // std::cerr<<" layer: "<<layer<<" atom: "<<iter->get<2>()<<" "
-        // <<iter->get<0>()<< " " << iter->get<1>() << " " <<
-        // deadAtoms[iter->get<2>()]<<std::endl;
+        // std::cerr<<" layer: "<<layer<<" atom: "<<std::get<2>(*iter)<<" "
+        // <<std::get<0>(*iter)<< " " << std::get<1>(*iter) << " " <<
+        // deadAtoms[std::get<2>(*iter)]<<std::endl;
       } else {
         // we have seen this exact environment before, this atom
         // is now out of consideration:
-        // std::cerr<<"   atom: "<< iter->get<2>()<<" is dead."<<std::endl;
-        deadAtoms[iter->get<2>()] = 1;
+        // std::cerr<<"   atom: "<< std::get<2>(*iter)<<" is dead."<<std::endl;
+        deadAtoms[std::get<2>(*iter)] = 1;
       }
     }
 
diff --git a/Code/GraphMol/Fingerprints/MorganGenerator.cpp b/Code/GraphMol/Fingerprints/MorganGenerator.cpp
index bd76e57ca..d4ea768fd 100644
--- a/Code/GraphMol/Fingerprints/MorganGenerator.cpp
+++ b/Code/GraphMol/Fingerprints/MorganGenerator.cpp
@@ -17,8 +17,7 @@
 
 #include <RDGeneral/BoostStartInclude.h>
 #include <boost/dynamic_bitset.hpp>
-#include <boost/tuple/tuple.hpp>
-#include <boost/tuple/tuple_comparison.hpp>
+#include <tuple>
 #include <RDGeneral/BoostEndInclude.h>
 
 #include <GraphMol/Fingerprints/FingerprintUtil.h>
@@ -320,8 +319,8 @@ MorganEnvGenerator<OutputType>::getEnvironments(
         // store the environment that generated this bit id along with the bit
         // id and the atom id
         allNeighborhoodsThisRound.push_back(
-            boost::make_tuple(roundAtomNeighborhoods[atomIdx],
-                              static_cast<OutputType>(invar), atomIdx));
+            std::make_tuple(roundAtomNeighborhoods[atomIdx],
+                            static_cast<OutputType>(invar), atomIdx));
         if (std::find(neighborhoods.begin(), neighborhoods.end(),
                       roundAtomNeighborhoods[atomIdx]) != neighborhoods.end()) {
           // we have seen this exact environment before, this atom
@@ -340,19 +339,19 @@ MorganEnvGenerator<OutputType>::getEnvironments(
       // result
       if (morganArguments->df_includeRedundantEnvironments ||
           std::find(neighborhoods.begin(), neighborhoods.end(),
-                    iter->get<0>()) == neighborhoods.end()) {
+                    std::get<0>(*iter)) == neighborhoods.end()) {
         if (!morganArguments->df_onlyNonzeroInvariants ||
-            (*atomInvariants)[iter->get<2>()]) {
-          if (includeAtoms[iter->get<2>()]) {
+            (*atomInvariants)[std::get<2>(*iter)]) {
+          if (includeAtoms[std::get<2>(*iter)]) {
             result.push_back(new MorganAtomEnv<OutputType>(
-                iter->get<1>(), iter->get<2>(), layer + 1));
-            neighborhoods.push_back(iter->get<0>());
+                std::get<1>(*iter), std::get<2>(*iter), layer + 1));
+            neighborhoods.push_back(std::get<0>(*iter));
           }
         }
       } else {
         // we have seen this exact environment before, this atom
         // is now out of consideration:
-        deadAtoms[iter->get<2>()] = 1;
+        deadAtoms[std::get<2>(*iter)] = 1;
       }
     }
 
diff --git a/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h b/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h
index 867e554bd..95c84b216 100644
--- a/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h
+++ b/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h
@@ -1,7 +1,5 @@
 //
-//  Copyright (C) 2015 Sereina Riniker
-//
-//  Copyright (C) 2004-2006 Rational Discovery LLC
+//  Copyright (C) 2015 Sereina Riniker and other RDKit contributors
 //
 //   @@ All Rights Reserved @@
 //  This file is part of the RDKit.
@@ -14,7 +12,7 @@
 #define RD_TORSIONANGLEM6_H
 
 #include <ForceField/Contrib.h>
-#include <boost/tuple/tuple.hpp>
+#include <tuple>
 #include <vector>
 
 namespace RDGeom {
diff --git a/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.h b/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.h
index 268815fe7..2723cf363 100644
--- a/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.h
+++ b/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.h
@@ -1,7 +1,5 @@
 //
-//  Copyright (C) 2013-2018 Paolo Tosco
-//
-//  Copyright (C) 2004-2006 Rational Discovery LLC
+//  Copyright (C) 2013-2022 Paolo Tosco and other RDKit contributors
 //
 //   @@ All Rights Reserved @@
 //  This file is part of the RDKit.
@@ -21,7 +19,7 @@
 #include <mutex>
 #endif
 #include <boost/noncopyable.hpp>
-#include <boost/tuple/tuple.hpp>
+#include <tuple>
 #include <cstdint>
 
 namespace ForceFields {
diff --git a/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.cpp b/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.cpp
index ce4ac063b..a0daf7c68 100644
--- a/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.cpp
+++ b/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.cpp
@@ -703,10 +703,10 @@ bool getUFFInversionParams(const ROMol &mol, unsigned int idx1,
   }
   if (res) {
     isBoundToSP2O = (isBoundToSP2O && (at2AtomicNum == 6));
-    boost::tuple<double, double, double, double> invCoeffForceCon =
+    auto invCoeffForceCon =
         UFF::Utils::calcInversionCoefficientsAndForceConstant(at2AtomicNum,
                                                               isBoundToSP2O);
-    uffInversionParams.K = boost::tuples::get<0>(invCoeffForceCon);
+    uffInversionParams.K = std::get<0>(invCoeffForceCon);
   }
   return res;
 }
diff --git a/Code/GraphMol/FragCatalog/FragCatalogEntry.cpp b/Code/GraphMol/FragCatalog/FragCatalogEntry.cpp
index 94c725e9c..ccd05f4e3 100644
--- a/Code/GraphMol/FragCatalog/FragCatalogEntry.cpp
+++ b/Code/GraphMol/FragCatalog/FragCatalogEntry.cpp
@@ -1,6 +1,5 @@
-// $Id$
 //
-//  Copyright (C) 2003-2009 Greg Landrum and Rational Discovery LLC
+//  Copyright (C) 2003-2022 Greg Landrum and other RDKit contributors
 //
 //   @@ All Rights Reserved @@
 //  This file is part of the RDKit.
@@ -22,6 +21,7 @@
 #include <fstream>
 #include <cstdint>
 #include <RDGeneral/hash/hash.hpp>
+#include <tuple>
 
 namespace RDKit {
 
@@ -127,23 +127,12 @@ bool FragCatalogEntry::match(const FragCatalogEntry *other, double tol) const {
   Subgraphs::DiscrimTuple tdiscs, odiscs;
   odiscs = other->getDiscrims();
 
-  // double x1 = boost::tuples::get<0>(odiscs);
-  // std::cout << x1 << "\n";
   tdiscs = this->getDiscrims();
-#if 0
-    std::cout << "DISCRIMS: " << d_descrip  << " ";
-    std::cout << tdiscs.get<0>() << " " << tdiscs.get<1>() << " " << tdiscs.get<2>();
-    std::cout << "  -- "<<odiscs.get<0>() << " " << odiscs.get<1>() << " " << odiscs.get<2>();
-    std::cout << std::endl;
-#endif
   // REVIEW: need an overload of feq that handles tuples in MolOps, or wherever
   // DiscrimTuple is defined
-  if (!(feq(boost::tuples::get<0>(tdiscs), boost::tuples::get<0>(odiscs),
-            tol)) ||
-      !(feq(boost::tuples::get<1>(tdiscs), boost::tuples::get<1>(odiscs),
-            tol)) ||
-      !(feq(boost::tuples::get<2>(tdiscs), boost::tuples::get<2>(odiscs),
-            tol))) {
+  if (!(feq(std::get<0>(tdiscs), std::get<0>(odiscs), tol)) ||
+      !(feq(std::get<1>(tdiscs), std::get<1>(odiscs), tol)) ||
+      !(feq(std::get<2>(tdiscs), std::get<2>(odiscs), tol))) {
     return false;
   }
 
diff --git a/Code/GraphMol/FragCatalog/Wrap/FragCatalog.cpp b/Code/GraphMol/FragCatalog/Wrap/FragCatalog.cpp
index 9fc2293cd..16f0d2b7f 100644
--- a/Code/GraphMol/FragCatalog/Wrap/FragCatalog.cpp
+++ b/Code/GraphMol/FragCatalog/Wrap/FragCatalog.cpp
@@ -1,6 +1,5 @@
-// $Id$
 //
-//  Copyright (C) 2003-2006 Rational Discovery LLC
+//  Copyright (C) 2003-2022 Greg Landrum and other RDKit contributors
 //
 //   @@ All Rights Reserved @@
 //  This file is part of the RDKit.
@@ -104,9 +103,9 @@ DOUBLE_VECT GetBitDiscrims(const FragCatalog *self, unsigned int idx) {
   DOUBLE_VECT res;
   const FragCatalogEntry *entry = self->getEntryWithBitId(idx);
   Subgraphs::DiscrimTuple tmp = entry->getDiscrims();
-  res.push_back(tmp.get<0>());
-  res.push_back(tmp.get<1>());
-  res.push_back(tmp.get<2>());
+  res.push_back(std::get<0>(tmp));
+  res.push_back(std::get<1>(tmp));
+  res.push_back(std::get<2>(tmp));
   return res;
 }
 
diff --git a/Code/GraphMol/MolDraw2D/MolDraw2D.cpp b/Code/GraphMol/MolDraw2D/MolDraw2D.cpp
index 7e20c4956..b75b0bb19 100644
--- a/Code/GraphMol/MolDraw2D/MolDraw2D.cpp
+++ b/Code/GraphMol/MolDraw2D/MolDraw2D.cpp
@@ -44,7 +44,6 @@
 #include <memory>
 
 #include <boost/lexical_cast.hpp>
-#include <boost/tuple/tuple_comparison.hpp>
 #include <boost/assign/list_of.hpp>
 #include <boost/format.hpp>
 
diff --git a/Code/GraphMol/MolDraw2D/MolDraw2DDetails.h b/Code/GraphMol/MolDraw2D/MolDraw2DDetails.h
index a4fc5b0a6..d07eeb9a9 100644
--- a/Code/GraphMol/MolDraw2D/MolDraw2DDetails.h
+++ b/Code/GraphMol/MolDraw2D/MolDraw2DDetails.h
@@ -1,5 +1,5 @@
 //
-//  Copyright (C) 2015-2020 Greg Landrum
+//  Copyright (C) 2015-2022 Greg Landrum and other RDKit contributors
 //
 //   @@ All Rights Reserved @@
 //  This file is part of the RDKit.
@@ -18,7 +18,7 @@
 #include <GraphMol/RDKitBase.h>
 #include <GraphMol/MolDraw2D/MolDraw2D.h>
 
-#include <boost/tuple/tuple.hpp>
+#include <tuple>
 #include <boost/format.hpp>
 
 // ****************************************************************************
diff --git a/Code/GraphMol/MolDraw2D/MolDraw2DUtils.h b/Code/GraphMol/MolDraw2D/MolDraw2DUtils.h
index 749a9738c..b497d8a49 100644
--- a/Code/GraphMol/MolDraw2D/MolDraw2DUtils.h
+++ b/Code/GraphMol/MolDraw2D/MolDraw2DUtils.h
@@ -13,7 +13,7 @@
 #define MOLDRAW2DUTILS_H
 #include <GraphMol/RWMol.h>
 
-#include <boost/tuple/tuple.hpp>
+#include <tuple>
 
 // ****************************************************************************
 
diff --git a/Code/GraphMol/StructChecker/Utilites.cpp b/Code/GraphMol/StructChecker/Utilites.cpp
index e2aa99e59..82574498e 100644
--- a/Code/GraphMol/StructChecker/Utilites.cpp
+++ b/Code/GraphMol/StructChecker/Utilites.cpp
@@ -1,5 +1,6 @@
 //
-//  Copyright (C) 2016 Novartis Institutes for BioMedical Research
+//  Copyright (C) 2016-2022 Novartis Institutes for BioMedical Research and
+//  other RDKit contributors
 //
 //   @@ All Rights Reserved @@
 //  This file is part of the RDKit.
@@ -11,6 +12,8 @@
 #include "../../Geometry/point.h"
 #include "Utilites.h"
 #include <algorithm>
+#include <tuple>
+
 namespace RDKit {
 namespace StructureCheck {
 
@@ -56,7 +59,7 @@ bool getMolAtomPoints(const ROMol &mol, std::vector<RDGeom::Point3D> &atomPoint,
   return non_zero_z;
 }
 
-typedef boost::tuple<std::string, int, int, int> NbrData;
+typedef std::tuple<std::string, int, int, int> NbrData;
 
 bool lessTuple(const NbrData &left, const NbrData &right) {
   if (left.get<0>() < right.get<0>()) return true;
diff --git a/Code/GraphMol/Subgraphs/SubgraphUtils.cpp b/Code/GraphMol/Subgraphs/SubgraphUtils.cpp
index 9eb5b8c30..9a5878592 100644
--- a/Code/GraphMol/Subgraphs/SubgraphUtils.cpp
+++ b/Code/GraphMol/Subgraphs/SubgraphUtils.cpp
@@ -17,7 +17,6 @@
 #include <iostream>
 #include <algorithm>
 #include <map>
-#include <boost/tuple/tuple_comparison.hpp>
 #include <RDGeneral/hash/hash.hpp>
 
 namespace RDKit {
@@ -218,7 +217,7 @@ DiscrimTuple calcPathDiscriminators(const ROMol &mol, const PATH_TYPE &path,
 
   // also include the path size (bond count) and number of atoms
   // in the discriminator
-  return boost::make_tuple(pathInvar, path.size(), nAtoms);
+  return std::make_tuple(pathInvar, path.size(), nAtoms);
 }
 
 //
diff --git a/Code/GraphMol/Subgraphs/SubgraphUtils.h b/Code/GraphMol/Subgraphs/SubgraphUtils.h
index eee3bd6f1..bd76772bb 100644
--- a/Code/GraphMol/Subgraphs/SubgraphUtils.h
+++ b/Code/GraphMol/Subgraphs/SubgraphUtils.h
@@ -1,5 +1,5 @@
 //
-//  Copyright (C) 2003-2009 Greg Landrum and Rational Discovery LLC
+//  Copyright (C) 2003-2022 Greg Landrum and other RDKit contributors
 //
 //   @@ All Rights Reserved @@
 //  This file is part of the RDKit.
@@ -8,12 +8,12 @@
 //  of the RDKit source tree.
 //
 #include <RDGeneral/export.h>
-#ifndef _RD_SUBGRAPHUTILS_H_
-#define _RD_SUBGRAPHUTILS_H_
+#ifndef RD_SUBGRAPHUTILS_H
+#define RD_SUBGRAPHUTILS_H
 
 #include "Subgraphs.h"
 #include <RDGeneral/BoostStartInclude.h>
-#include <boost/tuple/tuple.hpp>
+#include <tuple>
 #include <RDGeneral/BoostEndInclude.h>
 
 #include <cstdint>
@@ -23,8 +23,7 @@ class ROMol;
 
 namespace Subgraphs {
 //! used to return path discriminators (three unsigned ints):
-typedef boost::tuples::tuple<std::uint32_t, std::uint32_t, std::uint32_t>
-    DiscrimTuple;
+typedef std::tuple<std::uint32_t, std::uint32_t, std::uint32_t> DiscrimTuple;
 
 RDKIT_SUBGRAPHS_EXPORT DiscrimTuple calcPathDiscriminators(
     const ROMol &mol, const PATH_TYPE &path, bool useBO = true,
diff --git a/Code/JavaWrappers/MolDraw2D.i b/Code/JavaWrappers/MolDraw2D.i
index 2108264b6..67208dd81 100644
--- a/Code/JavaWrappers/MolDraw2D.i
+++ b/Code/JavaWrappers/MolDraw2D.i
@@ -29,11 +29,10 @@
 * (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
 * OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
 */
-%include "boost_tuple.i"
 %include "std_vector.i"
 %include "std_map.i"
 %include "std_pair.i"
-%include "boost_tuple.i"
+%include "std_tuple.i"
 %{
 #include <GraphMol/RDKitBase.h>
 #include <GraphMol/MolDraw2D/MolDraw2DHelpers.h>
diff --git a/Code/JavaWrappers/Subgraphs.i b/Code/JavaWrappers/Subgraphs.i
index 150449b4e..064945621 100644
--- a/Code/JavaWrappers/Subgraphs.i
+++ b/Code/JavaWrappers/Subgraphs.i
@@ -41,9 +41,9 @@
   std::vector<int> calcPathDiscriminators(RDKit::ROMol &mol,RDKit::PATH_TYPE &path){
     std::vector<int> res(3);
     RDKit::Subgraphs::DiscrimTuple tpl=RDKit::Subgraphs::calcPathDiscriminators(mol,path);
-    res[0]=boost::get<0>(tpl);
-    res[1]=boost::get<1>(tpl);
-    res[2]=boost::get<2>(tpl);
+    res[0]=std::get<0>(tpl);
+    res[1]=std::get<1>(tpl);
+    res[2]=std::get<2>(tpl);
     return res;
   }
 %}
diff --git a/Code/JavaWrappers/boost_tuple.i b/Code/JavaWrappers/boost_tuple.i
deleted file mode 100644
index 6f3544687..000000000
--- a/Code/JavaWrappers/boost_tuple.i
+++ /dev/null
@@ -1,64 +0,0 @@
-/* 
-* 
-*
-*  Copyright (c) 2015, Greg Landrum
-*  All rights reserved.
-*
-*  This file is part of the RDKit.
-*  The contents are covered by the terms of the BSD license
-*  which is included in the file license.txt, found at the root
-*  of the RDKit source tree.
-*
-* taken from this stackexchange answer: http://stackoverflow.com/a/12768318
-*/
-%{
-#include <boost/tuple/tuple.hpp>
-%}
-
-namespace boost {
-  template <typename T1=void, typename T2=void, typename T3=void> 
-  struct tuple;
-
-  template <>
-  struct tuple<void,void,void> {
-  };
-
-  template <typename T1>
-  struct tuple<T1, void, void> {
-    tuple(T1);
-    %extend {
-      T1 first() const {
-        return boost::get<0>(*$self);
-      }
-    }
-  };
-
-  template <typename T1, typename T2>
-  struct tuple <T1, T2, void> {
-    tuple(T1,T2);
-    %extend {
-      T1 first() const {
-        return boost::get<0>(*$self);
-      }
-      T2 second() const { 
-        return boost::get<1>(*$self);
-      }
-    }
-  };
-
-  template <typename T1, typename T2, typename T3> 
-  struct tuple <T1,T2,T3> {
-    tuple(T1,T2,T3);
-    %extend {
-      T1 first() const {
-        return boost::get<0>(*$self);
-      }
-      T2 second() const {
-        return boost::get<1>(*$self);
-      }
-      T3 third() const {
-        return boost::get<2>(*$self);
-      }
-    }
-  };
-}
diff --git a/Code/JavaWrappers/std_tuple.i b/Code/JavaWrappers/std_tuple.i
new file mode 100644
index 000000000..3e306b4b2
--- /dev/null
+++ b/Code/JavaWrappers/std_tuple.i
@@ -0,0 +1,63 @@
+/* 
+* 
+*
+*  Copyright (c) 2015-2022, Greg Landrum
+*  All rights reserved.
+*
+*  This file is part of the RDKit.
+*  The contents are covered by the terms of the BSD license
+*  which is included in the file license.txt, found at the root
+*  of the RDKit source tree.
+*
+* adapted from this stackexchange answer: https://stackoverflow.com/a/72849351
+*/
+// [1]
+%{
+#include <tuple>
+#include <utility>
+%}
+
+// [2]    
+#define make_getter(pos, type) const type& get##pos() const { return std::get<pos>(*$self); }
+#define make_setter(pos, type) void set##pos(const type& val) { std::get<pos>(*$self) = val; }
+#define make_ctorargN(pos, type) , type v##pos
+#define make_ctorarg(first, ...) const first& v0 FOR_EACH(make_ctorargN, __VA_ARGS__)
+
+// [3]
+#define FE_0(...)
+#define FE_1(action,a1) action(0,a1)
+#define FE_2(action,a1,a2) action(0,a1) action(1,a2)
+#define FE_3(action,a1,a2,a3) action(0,a1) action(1,a2) action(2,a3)
+#define FE_4(action,a1,a2,a3,a4) action(0,a1) action(1,a2) action(2,a3) action(3,a4)
+#define FE_5(action,a1,a2,a3,a4,a5) action(0,a1) action(1,a2) action(2,a3) action(3,a4) action(4,a5)
+
+#define GET_MACRO(_1,_2,_3,_4,_5,NAME,...) NAME
+%define FOR_EACH(action,...)
+  GET_MACRO(__VA_ARGS__, FE_5, FE_4, FE_3, FE_2, FE_1, FE_0)(action,__VA_ARGS__)
+%enddef
+
+// [4]
+%define %std_tuple(Name, ...)
+%rename(Name) std::tuple<__VA_ARGS__>;
+namespace std {
+    struct tuple<__VA_ARGS__> {
+        // [5]
+        tuple(make_ctorarg(__VA_ARGS__));
+        %extend {
+            // [6]
+            FOR_EACH(make_getter, __VA_ARGS__)
+            FOR_EACH(make_setter, __VA_ARGS__)
+            size_t __len__() const { return std::tuple_size<std::decay_t<decltype(*$self)>>{}; }
+            %pythoncode %{
+                # [7]
+                def __getitem__(self, n):
+                    if n >= len(self): raise IndexError()
+                    return getattr(self, 'get%d' % n)()
+                def __setitem__(self, n, val):
+                    if n >= len(self): raise IndexError()
+                    getattr(self, 'set%d' % n)(val)
+            %}
+        }
+    };
+}
+%enddef
\ No newline at end of file
diff --git a/External/INCHI-API/inchi.cpp b/External/INCHI-API/inchi.cpp
index b44f3e8ad..37e88a018 100644
--- a/External/INCHI-API/inchi.cpp
+++ b/External/INCHI-API/inchi.cpp
@@ -1,5 +1,6 @@
 //
-//  Copyright (c) 2011, Novartis Institutes for BioMedical Research Inc.
+//  Copyright (c) 2011-2022 Novartis Institutes for BioMedical Research Inc. and
+//  other RDkit contributors
 //  All rights reserved.
 //
 // Redistribution and use in source and binary forms, with or without
@@ -70,7 +71,7 @@
 #include <algorithm>
 
 #include <RDGeneral/BoostStartInclude.h>
-#include <boost/tuple/tuple.hpp>
+#include <tuple>
 #include <RDGeneral/BoostEndInclude.h>
 
 //#define DEBUG 1
@@ -1277,7 +1278,7 @@ RWMol* InchiToMol(const std::string& inchi, ExtraInchiReturnValues& rv,
     }
 
     // for isotopes of H
-    typedef std::vector<boost::tuple<unsigned int, unsigned int, unsigned int>>
+    typedef std::vector<std::tuple<unsigned int, unsigned int, unsigned int>>
         ISOTOPES_t;
     ISOTOPES_t isotopes;
     if (retcode == inchi_Ret_OKAY || retcode == inchi_Ret_WARNING) {
@@ -1314,11 +1315,11 @@ RWMol* InchiToMol(const std::string& inchi, ExtraInchiReturnValues& rv,
         // number of hydrogens
         atom->setNumExplicitHs(inchiAtom->num_iso_H[0]);
         if (inchiAtom->num_iso_H[1]) {
-          isotopes.push_back(boost::make_tuple(1, i, inchiAtom->num_iso_H[1]));
+          isotopes.push_back(std::make_tuple(1, i, inchiAtom->num_iso_H[1]));
         } else if (inchiAtom->num_iso_H[2]) {
-          isotopes.push_back(boost::make_tuple(2, i, inchiAtom->num_iso_H[2]));
+          isotopes.push_back(std::make_tuple(2, i, inchiAtom->num_iso_H[2]));
         } else if (inchiAtom->num_iso_H[3]) {
-          isotopes.push_back(boost::make_tuple(3, i, inchiAtom->num_iso_H[3]));
+          isotopes.push_back(std::make_tuple(3, i, inchiAtom->num_iso_H[3]));
         }
         // at this point the molecule has all Hs it should have. Set the
         // noImplicit flag so
@@ -1397,8 +1398,7 @@ RWMol* InchiToMol(const std::string& inchi, ExtraInchiReturnValues& rv,
 
       // adding isotopes at the end
       for (auto& ii : isotopes) {
-        unsigned int isotope, aid, repeat;
-        boost::tie(isotope, aid, repeat) = ii;
+        auto [isotope, aid, repeat] = ii;
         aid = indexToAtomIndexMapping[aid];
         for (unsigned int i = 0; i < repeat; i++) {
           // create atom