mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-03 21:44:30 +08:00
10 lines
312 B
Plaintext
10 lines
312 B
Plaintext
Source of data:
|
|
|
|
1) bzr.sdf and bzr.smi : compounds from the publication:
|
|
"Spline-Fitting with a Genetic Algorithm: A Method for Developing
|
|
Classification Structure-Activity Relationships" J.J. Sutherland,
|
|
L.A. O'Brien, D.F. Weaver JCICS:43 1906-15 (2003).
|
|
|
|
2) pubchem.200.sdf : 200 arbitrary pubchem compounds
|
|
|