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URL: http://www.moldiscovery.com/
Proper Citation: Molecular Discovery (RRID:SCR_004085)
Description: Commercial organization providing the GRID software to scientists working on the field of drug design. All the products are based on the GRID force field, which is used in connection with experimental design and multivariate analysis tools to transform information into knowledge. The main field of application is drug discovery, property design and prediction by merging molecular modelling techniques and Quantitative structure-activity relationship (QSPR) methods into 3D-QSPR models. The same strategies can also be used in virtual screening, ADME prediction and profile and prediction of human drug metabolism, where selection or prioritization of candidates is required from large collections of compounds to minimize drug failures. Molecular Discovery offers training courses on all MD programs. Workshops and seminars on Drug Design methodologies, DMPK prediction and QSPR are also offered. Consulting agreements are also offered in research areas related with chemometrics and drug discovery. Products * GRID, a program for rational or structure-based design using molecular interaction fields * MetaSite, a program for predicting metabolic hotspots or soft spots and subsequent metabolite formation * Mass-MetaSite, a program for identifying metaoblites based on experimental LC-MSMS data * WebMetaBase, a program for storing, visualising, and data-mining the results from Mass-MetaSite * VolSurf+, a program for modelling pharmacokinetic or ADME properties * SHOP, a program for scaffold replacement * MoKa, a program for modelling pKa and tautomerisation * Pentacle, a program for 3D-QSAR (an update of Almond) * FLAP, a program for virtual screening, pharmacophore modelling, docking, water prediction, and 3D-QSAR
Abbreviations: MD
Synonyms: Molecular Discovery Ltd, Molecular Discovery Ltd.
Resource Type: commercial organization
Keywords: drug discovery, drug design, drug, training service resource, chemometrics, cytochrome p450
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