Cheminformatics - Musharof Chy
Molinspiration Cheminformatics
Web-enabled software for large-scale calculation of molecular properties and database searches. Fre...
IDBS
Integrated framework for discovery data, from initial data capture to results analysis and reportin...
Cheminformatics.org
Links to cheminformatics programs and QSAR datasets. Most programs are free, at least to academics.
ilib diverse
Organic compound library generation program using Monte Carlo randomization and property filtering.
Virtual Computational Chemistry Laboratory
Free on-line calculation of lipophilicity, logP, aqueous solubility, logS, molecular indices using ...
MayaChemTools
Free collection of Perl scripts to support day-to-day computational discovery needs.
LigandScout
A software tool for PDB interpretation, 3D pharmacophore creation, modeling and visualization.
Karypis Lab: AFGen
Software tools for generating fragment-based descriptors for chemical compounds with applications t...
Osiris Property Explorer
Software to calculate various drug-relevant properties of chemical structures. Prediction results a...
GLARE
Free software that facilitates and improves the design of chemical combinatorial libraries. It auto...