Software


OpenEye, based in New Mexico, provides software to the pharmaceutical industry for molecular modeling and cheminformatics. It has done so since 1997 in its continuing mission to provide novel software, new science and better business practices to the industry. Central to our approach is the importance of shape and electrostatics as primary variables of molecular description, platform-independent code for high-throughput 2D and 3D modeling, and a preference for the rigorous rather than the ad hoc.

SCM, based in Netherlands, is a spin off from the Baerends group in Amsterdam. ADF has been developed in Amsterdam since the early seventies, with significant contributions from academic collaborators elsewhere. The two other main ADF development centers are the Ziegler group in Calgary and the theoretical chemistry group in Groningen.

Douglas Connect, based in Switzerland, develops eCheminfo is an ongoing Community of Practice (CoP) committed to the core value of outreach with diverse groups in the commercial, government and academic sectors for the sharing of best practices and the development of strategies, resources and methodologies that address specific issues in improved drug discovery and productivity.

Makers of MOPAC, a semi-empirical quantum chemistry software package for the prediction of chemical properties and modeling of chemical reactions.

MultiCASE Inc. is a pioneer in developing computer programs for assessing toxicological and pharmacological potential of chemicals and pharmaceuticals.

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