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Food and Chemical Toxicology : an International Journal Published for the British Industrial Biological Research Association|September 15, 2022
Prediction of serious eye damage or eye irritation potential of compounds via consensus labelling models and active learning models based on uncertainty strategiesPeiwen Di, Mingyue Zheng, Tianbiao Yang, et al.Journal of Pharmaceutical and Biomedical Analysis|April 6, 2018
Multi-analytical strategy for unassigned peaks using physical/mathematical separation, fragmental rules and retention index prediction: An example of sesquiterpene metabolites characterization in Cyperus rotundusMin He, Pan Yan, Zhiyu Yang, et al.Journal of Cheminformatics|December 24, 2024
AttenhERG: a reliable and interpretable graph neural network framework for predicting hERG channel blockersTianbiao Yang, Xiaoyu Ding, Elizabeth McMichael, et al.Bioinformatics (Oxford, England)|May 20, 2020
TransformerCPI: improving compound-protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experimentsLifan Chen, Xiaoqin Tan, Dingyan Wang, et al.Nucleic Acids Research|October 26, 2020
DrugSpaceX: a large screenable and synthetically tractable database extending drug spaceTianbiao Yang, Zhaojun Li, Yingjia Chen, et al.Journal of Medicinal Chemistry|March 20, 2020
Revisiting Aldehyde Oxidase Mediated Metabolism in Drug-like Molecules: An Improved Computational ModelJihui Zhao, Rongrong Cui, Lihao Wang, et al.Protein & Cell|October 22, 2021
Drug target inference by mining transcriptional data using a novel graph convolutional network frameworkFeisheng Zhong, Xiaolong Wu, Ruirui Yang, et al.Acta Pharmaceutica Sinica. B|March 29, 2021
Design, synthesis and biological evaluation of pyrazolo[3,4-<i>d</i>]pyridazinone derivatives as covalent FGFR inhibitorsXiaowei Wu, Mengdi Dai, Rongrong Cui, et al.Journal of Medicinal Chemistry|November 25, 2021
Discovery of Pyrazolo[3,4-<i>d</i>]pyridazinone Derivatives as Selective DDR1 Inhibitors via Deep Learning Based Design, Synthesis, and Biological EvaluationXiaoqin Tan, Chunpu Li, Ruirui Yang, et al.Nature Communications|May 22, 2026
Amino acid-based biological age clock and its implications for human health and agingKeke Ding, Ruimin Xu, Xiaowen Chao, et al.Pageof 2