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

DOI10.1002/SAM.10037MaRDI QIDQ4969657zbMATH OpenOpenAlexWikidataFDO

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

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)

Describes a project that uses

Uses Software

• BindingDB

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