QSAR Modeling: Where Have You Been? Where Are You Going To?

Cherkasov, Artem; Muratov, Eugene; Fourches, Denis; Varnek, Alexandre; I. Baskin, Igor; Cronin, M; C. Dearden, John; Gramatica, Paola; C. Martin, Yvonne; Todeschini, Roberto; Consonni, Viviana; Е. Kuz’min, V.; D. Cramer, Richard; Benigni, Romualdo; Yang, Chihae; F. Rathman, James; Terfloth, Lothar; Gasteiger, Johann; Richard, Ann; Tropsha, Alexander

doi:10.1021/jm4004285

Public

QSAR Modeling: Where Have You Been? Where Are You Going To?

Published in Journal of Medicinal Chemistry • Dec 18, 2013

Authors:

Artem Cherkasov

Eugene Muratov

Denis Fourches

Abstract

Quantitative structure-activity relationship modeling is one of the major computational tools employed in medicinal chemistry. However, throughout its entire history it has drawn both praise and criticism concerning its reliability, limitations, successes, and failures. In this paper, we discuss (i)...

Subject

Quantitative structure–activity relationship

Management science

Reliability (semiconductor)

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