QSAR Modeling: Where have you been? Where are you going to?

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...

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Autori principali: Cherkasov, Artem, Muratov, Eugene N., Fourches, Denis, Varnek, Alexandre, Baskin, Igor I., Cronin, Mark, Dearden, John, Gramatica, Paola, Martin, Yvonne C., Todeschini, Roberto, Consonni, Viviana, Kuz'min, Victor E., Cramer, Richard, Benigni, Romualdo, Yang, Chihae, Rathman, James, Terfloth, Lothar, Gasteiger, Johann, Richard, Ann, Tropsha, Alexander
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2014
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Article
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC4074254/
https://ncbi.nlm.nih.gov/pubmed/24351051
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jm4004285
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