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Fast Calculation of Quantum Chemical Molecular Descriptors from the Electronegativity Equalization Method

✍ Scribed by Bultinck, P.; Langenaeker, W.; Carbo-Dorca, R.; Tollenaere, J.P.

Book ID
111986550
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
58 KB
Volume
43
Category
Article
ISSN
0095-2338

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## Abstract The great cost associated with the development of new anabolic–androgenic steroid (AASs) makes necessary the development of computational methods that shorten the drug discovery pipeline. Toward this end, quantum, and physicochemical molecular descriptors, plus linear discriminant analy