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New antitrichomonal drug-like chemicals selected by bond (edge)-based TOMOCOMD-CARDD descriptors
(2008)
Bond-based quadratic indices, new TOMOCOMD-CARDD molecular descriptors, and linear discriminant analysis (LDA) were used to discover novel lead trichomonacidals. The obtained LDA-based quantitative structure-activity ...
A novel non-stochastic quadratic fingerprints-based approach for the “in silico” discovery of new antitrypanosomal compounds
(2005)
A Non-Stochastic Quadratic Fingerprints-based approach is introduced to classify and design,
in a rational way, new antitrypanosomal compounds. A data set of 153 organic-chemicals; 62
with antitrypanosomal activity and ...