OpenBabel is free software, a chemical expert system mainly used for converting chemical file formats. Due to the strong relationship to informatics this program belongs more to the category cheminformatics than to molecular modelling. It is available for Windows, Unix, and Mac OS. It is distributed under the GNU GPL.
The project's stated goal is: "Open Babel is a community-driven scientific project assisting both users and developers as a cross-platform program and library designed to support molecular modeling, chemistry, and many related areas, including interconversion of file formats and data."
FAF-Drugs2: Free ADME/tox filtering tool to assist drug discovery and chemical biology projects.(Software)(absorption, distribution, metabolism, excretion and toxicity)
Sep 24, 2008; Authors: David Lagorce ; Olivier Sperandio ; Hervé Galons ; Maria A Miteva ; Bruno O Villoutreix (corresponding...