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Journal of Chemical Information and Modeling|October 5, 2019
Novel Consensus Architecture To Improve Performance of Large-Scale Multitask Deep Learning QSAR ModelsAlexey V Zakharov, Tongan Zhao, Dac-Trung Nguyen, et al.
Frontiers in Pharmacology|November 7, 2024
Identification of human pregnane X receptor antagonists utilizing a high-throughput screening platformCaitlin Lynch, Ryan Margolis, Jacob Niebler, et al.
Scientific Reports|March 2, 2018
Expanding biological space coverage enhances the prediction of drug adverse effects in human using in vitro activity profilesRuili Huang, Menghang Xia, Srilatha Sakamuru, et al.
Nature Communications|January 27, 2016
Modelling the Tox21 10 K chemical profiles for in vivo toxicity prediction and mechanism characterizationRuili Huang, Menghang Xia, Srilatha Sakamuru, et al.
Toxicology and Applied Pharmacology|September 23, 2022
Prediction of drug-induced liver injury and cardiotoxicity using chemical structure and in vitro assay dataLin Ye, Deborah K Ngan, Tuan Xu, et al.
Drug Discovery Today|October 5, 2019
The NCATS Pharmaceutical Collection: a 10-year updateRuili Huang, Hu Zhu, Paul Shinn, et al.
Frontiers in Pharmacology|May 29, 2019
The NCATS BioPlanet - An Integrated Platform for Exploring the Universe of Cellular Signaling Pathways for Toxicology, Systems Biology, and Chemical GenomicsRuili Huang, Ivan Grishagin, Yuhong Wang, et al.
Bioorganic & Medicinal Chemistry|January 14, 2022
Using in vitro ADME data for lead compound selection: An emphasis on PAMPA pH 5 permeability and oral bioavailabilityJordan Williams, Vishal Siramshetty, Ðắc-Trung Nguyễn, et al.
Chemical Research in Toxicology|April 9, 2026
Impact of Chemical Quality on High-Throughput in Vitro Assays: A Tox21 StudyDeborah K Ngan, Lin Ye, Jui-Hua Hsieh, et al.
Environmental Health Perspectives|July 10, 2026
Expanded Tox21 Biological Assay Panel for the Prediction of Drug-Induced Liver Injury and CardiotoxicityTuan Xu, Masato Ooka, Jinghua Zhao, et al.
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