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Improving Docking-Based Virtual Screening Ability by Integrating Multiple Energy Auxiliary Terms from Molecular Docking Scoring.

W. Ye, C. Shen, G. Xiong, J. Ding, A. Lu, T. Hou, и D. Cao. J. Chem. Inf. Model., 60 (9): 4216-4230 (2020)

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Dong-Sheng Huang

Tung-sheng Sheng

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ChemoPy: freely available python package for computational biology and chemoinformaticsD. Cao, Q. Xu, Q. Hu, и Y. Liang. Bioinformatics, 29 (8): 1092-1094 (2013)ADME Properties Evaluation in Drug Discovery: Prediction of Caco-2 Cell Permeability Using a Combination of NSGA-II and Boosting.N. Wang, J. Dong, Y. Deng, M. Zhu, M. Wen, Z. Yao, A. Lu, J. Wang, и D. Cao. J. Chem. Inf. Model., 56 (4): 763-773 (2016)Enhancing Multi-species Liver Microsomal Stability Prediction through Artificial Intelligence.T. Long, D. Jiang, S. Shi, Y. Deng, W. Wang, и D. Cao. J. Chem. Inf. Model., 64 (8): 3222-3236 (2024)Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based models.D. Jiang, Z. Wu, C. Hsieh, G. Chen, B. Liao, Z. Wang, C. Shen, D. Cao, J. Wu, и T. Hou. J. Cheminformatics, 13 (1): 12 (2021)Do we need different machine learning algorithms for QSAR modeling? A comprehensive assessment of 16 machine learning algorithms on 14 QSAR data sets.Z. Wu, M. Zhu, Y. Kang, E. Leung, T. Lei, C. Shen, D. Jiang, Z. Wang, D. Cao, и T. Hou. Briefings Bioinform., (2021)PROTAC-DB 2.0: an updated database of PROTACs.G. Weng, X. Cai, D. Cao, H. Du, C. Shen, Y. Deng, Q. He, B. Yang, D. Li, и T. Hou. Nucleic Acids Res., 51 (D1): 1367-1372 (января 2023)Fast and accurate prediction of partial charges using Atom-Path-Descriptor-based machine learning.J. Wang, D. Cao, C. Tang, X. Chen, H. Sun, и T. Hou. Bioinform., 36 (18): 4721-4728 (2020)Hyperbolic relational graph convolution networks plus: a simple but highly efficient QSAR-modeling method.Z. Wu, D. Jiang, C. Hsieh, G. Chen, B. Liao, D. Cao, и T. Hou. Briefings Bioinform., (2021)Machine learning to predict metabolic drug interactions related to cytochrome P450 isozymes.N. Wang, X. Wang, G. Xiong, Z. Yang, A. Lu, X. Chen, S. Liu, T. Hou, и D. Cao. J. Cheminformatics, 14 (1): 23 (2022)HAMdb: a database of human autophagy modulators with specific pathway and disease information.N. Wang, J. Dong, L. Zhang, D. Ouyang, Y. Cheng, A. Chen, A. Lu, и D. Cao. J. Cheminformatics, 10 (1): 34:1-34:8 (2018)

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Please choose a person to relate this publication to

Dong-Sheng Huang

Tung-sheng Sheng

Tung-sheng Sheng

Tung-sheng Sheng

Tung-sheng Sheng

Другие публикации лиц с тем же именем

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