Tools to build molecular-docking activity prediction models by PLS regression with iterative training and pose-selection. Descriptors include (i) docking score(s), (ii) pharmacophore features, (iii) multi-feature descriptors learned by decision trees.
VERSION HISTORY
- Version AutoShim1.0 posted on 2007-10-31
Several fixes and updates - Version AutoShim1.0 posted on 2007-10-31
Program Details
- Category: Education > Other
- Publisher: autoshim.sf.net
- License: Free
- Price: N/A
- Version: 1.0
- Platform: linux