| Name | Date | Size | #Lines | LOC | ||
|---|---|---|---|---|---|---|
| .. | 24-Aug-2021 | - | ||||
| README | H A D | 24-Aug-2021 | 312 | 10 | 6 | |
| bzr.2.smi | H A D | 24-Aug-2021 | 460 | 11 | 10 | |
| bzr.sdf | H A D | 24-Aug-2021 | 315.3 KiB | 9,161 | 8,671 | |
| bzr.smi | H A D | 24-Aug-2021 | 523 | 11 | 10 | |
| bzr_q1.mol | H A D | 24-Aug-2021 | 2.1 KiB | 59 | 56 | |
| pubchem.200.sdf | H A D | 24-Aug-2021 | 423 KiB | 12,053 | 11,452 |
README
1Source of data: 2 31) bzr.sdf and bzr.smi : compounds from the publication: 4"Spline-Fitting with a Genetic Algorithm: A Method for Developing 5Classification Structure-Activity Relationships" J.J. Sutherland, 6L.A. O'Brien, D.F. Weaver JCICS:43 1906-15 (2003). 7 82) pubchem.200.sdf : 200 arbitrary pubchem compounds 9 10