#false positives

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

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…

An integrated platform for screening frequent false positives in chemical biology and drug discovery. - Built with multitask DMPNN models and more than 820,000 compounds. - Integrates seven categories of false-positive…