Applying pattern recognition methods plus quantum and physico-chemical molecular descriptors to analyze the anabolic activity of structurally diverse steroids

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 analysis (LDA) were used to analyze the anabolic/androgenic activity of… (More)
DOI: 10.1002/jcc.20745

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Cite this paper

@article{AlvarezGinarte2008ApplyingPR, title={Applying pattern recognition methods plus quantum and physico-chemical molecular descriptors to analyze the anabolic activity of structurally diverse steroids}, author={Yoanna Mar{\'i}a Alvarez-Ginarte and Yovani Marrero-Ponce and Jos{\'e} Alberto Ruiz-Garc{\'i}a and Luis Alberto Montero-Cabrera and J. M. Garc{\'i}a de la Vega and Pedro Noheda Marin and Rachel Crespo-Otero and Francisco Torrens Zaragoza and Ram{\'o}n Garc{\'i}a-Domenech}, journal={Journal of computational chemistry}, year={2008}, volume={29 3}, pages={317-33} }