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.

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Categories

Molecular Science, Chemistry, Bio-Informatics

License

BSD License

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Additional Project Details

Operating Systems

Linux

Intended Audience

Advanced End Users, Developers, Education, Science/Research

User Interface

Command-line

Programming Language

C, S/R, Unix Shell

Related Categories

Unix Shell Molecular Science Software, Unix Shell Chemistry Software, Unix Shell Bio-Informatics Software, C Molecular Science Software, C Chemistry Software, C Bio-Informatics Software, S/R Molecular Science Software, S/R Chemistry Software, S/R Bio-Informatics Software

Registered

2007-10-24
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