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Methods (San Diego, Calif.)|January 19, 2024
Comprehensive evaluation of molecule property prediction with ChatGPTXibao Cai, Houtim Lai, Xing Wang, et al.
Journal of Dermatological Science|July 8, 2025
Eupatilin attenuates vemurafenib resistance through inhibition of ABCB1 in melanomaDaishi Li, Sitao Liu, Yi Ge, et al.
Chemmedchem|June 26, 2026
Discovery of a New Scaffold RSK2 Inhibitor With Virtual and Phenotypical ScreeningNan Feng, Qiongru Ning, Keyi Liu, et al.
Journal of Chemical Information and Modeling|November 23, 2022
ALipSol: An Attention-Driven Mixture-of-Experts Model for Lipophilicity and Solubility PredictionJialu Wu, Junmei Wang, Zhenxing Wu, et al.
Briefings in Bioinformatics|January 21, 2022
Out-of-the-box deep learning prediction of quantum-mechanical partial charges by graph representation and transfer learningDejun Jiang, Huiyong Sun, Jike Wang, et al.
Briefings in Bioinformatics|April 19, 2022
Knowledge-based BERT: a method to extract molecular features like computational chemistsZhenxing Wu, Dejun Jiang, Jike Wang, et al.
Journal of Medicinal Chemistry|April 15, 2025
HMAMP: Designing Highly Potent Antimicrobial Peptides Using a Hypervolume-Driven Multiobjective Deep Generative ModelLi Wang, Yiping Liu, Xiangzheng Fu, et al.
Journal of Cheminformatics|October 17, 2021
The impact of cross-docked poses on performance of machine learning classifier for protein-ligand binding pose predictionChao Shen, Xueping Hu, Junbo Gao, et al.
Phytochemistry|November 28, 2016
Selagintriflavonoids with BACE1 inhibitory activity from the fern Selaginella doederleiniiZhenxing Zou, Pingsheng Xu, Guogang Zhang, et al.
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