ChemFH: an integrated tool for screening frequent false positives in chemical biology and drug discovery

July 2024 Shaohua Shi, Li Fu, Jiacai Yi, Ziyi Yang, Xiaochen Zhang, Youchao Deng, Wenxuan Wang, Chengkun Wu, Wentao Zhao, Tingjun Hou, Xiangxiang Zeng, Aiping Lyu, Dongsheng Cao Nucleic Acids Research

High-throughput screening rapidly tests extensive arrays of chemical compounds to identify hit compounds for specific biological targets in drug discovery. However, false-positive results disrupt hit-to-lead progression and waste resources. ChemFH is an integrated online tool that systematically screens for frequent false positives by incorporating large-scale structural alerts, aggregation predictors, and interference filters covering pan-assay interference compounds (PAINS), reactive metabolites, and colloidal aggregators, enabling researchers to flag problematic compounds early in the discovery pipeline.