Turbo similarity searching: Effect of fingerprint and dataset on virtual‐screening performance

DOI10.1002/SAM.10037OpenAlexW3083116277WikidataQ61960975 ScholiaQ61960975MaRDI QIDQ4969657FDOQ4969657

John D. Holliday, Valerie J. Gillet, MacIej Haranczyk, Yogendra Patel, Eleanor J. Gardiner, Peter K. Willett, Jérôme Hert, Nurul Malim

Publication date: 14 October 2020

Published in: Statistical Analysis and Data Mining: The ASA Data Science Journal (Search for Journal in Brave)

Full work available at URL: http://eprints.whiterose.ac.uk/76260/2/WRRO_76260.pdf

zbMATH Keywords

chemoinformaticssimilarity searchingchemical databasesimilar property principleturbo similarity searching

Mathematics Subject Classification ID

Statistics (62-XX) Computer science (68-XX)

Uses Software

• BindingDB

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