Virtual screening based on one-class classification

DOI10.1134/S0012500811040082zbMath1247.92071OpenAlexW2034286875WikidataQ56982911 ScholiaQ56982911MaRDI QIDQ2900848

Nikolai S. Zefirov, I. I. Baskin, P. V. Karpov, V. A. Palyulin

Publication date: 26 July 2012

Published in: Doklady Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1134/s0012500811040082

zbMATH Keywords

ligandsLOOCV methodQSAR/QSPR methodTanimoto index

Mathematics Subject Classification ID

Chemistry (92E99)

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