| ADMETlab 3.0: an updated comprehensive online ADMET prediction platform enhanced with broader coverage, improved performance, API functionality and decision support L Fu, S Shi, J Yi, N Wang, Y He, Z Wu, J Peng, Y Deng, W Wang, C Wu, ... Nucleic Acids Research, gkae236, 2024 | 133 | 2024 |
| A network pharmacology approach to understanding the mechanisms of action of traditional medicine: Bushenhuoxue formula for treatment of chronic kidney disease S Shi, Y Cai, X Cai, X Zheng, D Cao, F Ye, Z Xiang PloS one 9 (3), e89123, 2014 | 110 | 2014 |
| Synthesis and biological evaluation of nucleoside analogues than contain silatrane on the basis of the structure of acyclovir (ACV) as novel inhibitors of hepatitis B virus (HBV) A Han, L Li, K Qing, X Qi, L Hou, X Luo, S Shi, F Ye Bioorganic & medicinal chemistry letters 23 (5), 1310-1314, 2013 | 38 | 2013 |
| TCMSID: a simplified integrated database for drug discovery from traditional chinese medicine LX Zhang, J Dong, H Wei, SH Shi, AP Lu, GM Deng, DS Cao Journal of cheminformatics 14 (1), 89, 2022 | 26 | 2022 |
| Matched molecular pair analysis in drug discovery: methods and recent applications Z Yang, S Shi, L Fu, A Lu, T Hou, D Cao Journal of Medicinal Chemistry 66 (7), 4361-4377, 2023 | 22 | 2023 |
| OptADMET: a web-based tool for substructure modifications to improve ADMET properties of lead compounds J Yi, S Shi, L Fu, Z Yang, P Nie, A Lu, C Wu, Y Deng, C Hsieh, X Zeng, ... Nature Protocols, 1-17, 2024 | 16 | 2024 |
| Structural analysis and prediction of hematotoxicity using deep learning approaches TZ Long, SH Shi, S Liu, AP Lu, ZQ Liu, M Li, TJ Hou, DS Cao Journal of Chemical Information and Modeling 63 (1), 111-125, 2022 | 16 | 2022 |
| Application of a liquid chromatography–tandem mass spectrometry method to the pharmacokinetics, bioavailability and tissue distribution of neohesperidin dihydrochalcone in rats X Wang, Y Pan, M Jianshe, S Shi, X Zheng, Z Xiang Xenobiotica 44 (6), 555-561, 2014 | 9 | 2014 |
| Reducing false positive rate of docking-based virtual screening by active learning L Wang, SH Shi, H Li, XX Zeng, SY Liu, ZQ Liu, YF Deng, AP Lu, TJ Hou, ... Briefings in Bioinformatics 24 (1), bbac626, 2023 | 8 | 2023 |
| The present state and challenges of active learning in drug discovery L Wang, Z Zhou, X Yang, S Shi, X Zeng, D Cao Drug Discovery Today, 103985, 2024 | 7 | 2024 |
| A simple, rapid and reliable UFLC-MS/MS method for the determination of dendrobine in rat plasma and its application to a pharmacokinetic study X Chen, S Zhang, J Ma, S Hu, S Shi, Z Xiang Analytical Methods 6 (4), 1197-1202, 2014 | 5 | 2014 |
| Enhancing Multi-species Liver Microsomal Stability Prediction through Artificial Intelligence TZ Long, DJ Jiang, SH Shi, YC Deng, WX Wang, DS Cao Journal of Chemical Information and Modeling 64 (8), 3222-3236, 2024 | 4 | 2024 |
| Predicting Elimination of Small-Molecule Drug Half-Life in Pharmacokinetics Using Ensemble and Consensus Machine Learning Methods J Fan, S Shi, H Xiang, L Fu, Y Duan, D Cao, H Lu Journal of Chemical Information and Modeling 64 (8), 3080-3092, 2024 | 3 | 2024 |
| ChemFH: an integrated tool for screening frequent false positives in chemical biology and drug discovery S Shi, L Fu, J Yi, Z Yang, X Zhang, Y Deng, W Wang, C Wu, W Zhao, ... Nucleic Acids Research, gkae424, 2024 | 2 | 2024 |
Dong-Sheng Cao (曹东升)Professor of Xiangya School of Pharmaceutical Science Central South University ChinaE-mailová adresa ověřena na: csu.edu.cn