Published April 19, 2017 | Version v1

Analysis of extensively tested pan assay interference compounds

  • 1. Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Dahlmannstr. 2, D-53113 Bonn, Germany.

Description

A set of 270 PAINS (Pan Assay Interference Compounds) were detected as substructures in extensively assayed PubChem compounds. For each PAINS substructure, the total number of compounds are reported that were tested in at least 100 primary assays or at least 50 confirmatory assays. In addition, the number of active compounds, mean hit rates, and number of consistently inactive compounds are reported separately for primary and confirmatory assays.

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