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.
Ratings and Reviews
Be the first to post a text review of AutoShim. Rate and review a project by clicking thumbs up or thumbs down in the right column.
Project Feed
Rate and Review
Be the first person to add a text review.
Related Projects
-
-
Chemical Descriptors Library (CDL)
CDL provides a generic C++ framework to write algorithms for the calculation of molecular descriptors. CDL provides efficient substructure search, fingerprints and pharmacophore algorithms, and many more for the calculation molecular descriptors.
-
AutoShim Actions
About SourceForge
Develop Software
Copyright © 2009 Geeknet, Inc. All rights reserved. Terms of Use
