Chemical Computing Group Inc

Contact information Chemical Computing Group Inc. 1010 Sherbrooke Street, Suite 910 Montreal, Quebec, Canada H3A 2R7 (514) 393-1055 http //www.chemcomp.com/ info chemcomp.com... 

Statistical methods can also be utilized to form probability models or to estimate the likelihood of particular descriptors forming the known classes. Chemical Computing Group Inc. has recently developed a new technology. 

QSAR models created with SVMs are best utilized in Binary QSAR applications to determine if compounds are bioactive for the system of interest as is the case with high throughput screening. The Binary QSAR method of Binary-QuaSAR (7,41) of the Chemical Computing Group, Inc., is the best example of a Binary QSAR application, and is provided with the software suite MOE (28). 

Paul Labute Chemical Computing Group Inc., Montreal, Quebec, Canada Roger Lahana Synt em, Nimes, France... 

Sabine Schefzick Discovery Technologies, Pfizer Global Research and Development, Ann Arbor, Michigan, USA Dora Schnur Computer Aided Drug Design, Pharmaceutical Research Institute, Bristol-Myers Squibb Company, Princeton, New Jersey, USA Suzanne K. Schreyer Chemical Computing Group Inc., Montreal, Quebec, Canada... 

MOE/QuaSAR Chemical Computing Group Inc. www.chemcomp.com/fdept/prodinfo.htm 2D (physical properties, subdivided surface areas, atom and bond counts, connectivity indices, adjacency and distance matrix descriptors, pharmacophore feature, partial charge descriptors), and 3D descriptors... 

MOE (Molecular Operating Environment), (2005) Chemical Computing Group, Inc., Montreal. 

QuaSAR descriptors [QuaSAR - Chemical Computing Group, Inc., 2007] include several types of traditional molecular descriptors Kier-Hall —> connectivity indices, —> structural keys. Estate indices, descriptors of physico-chemical properties (such as log P, molecular weight and molar refractivity), 3D molecular features (such as potential energy descriptors, surface area, volume and —> shape descriptors, conformation dependent partial charge descriptors), and some pharmacophore-based descriptors. 

Molecular Operating Environment (MOE) (2012)10 Chemical Computing Group Inc., 1010 Montreal, QC, Canada, H3A2R7, 2012... 

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