Dong-Sheng Cao (曹东升)

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Tingjun HouQiushi Professor of Pharmaceutical Science, Zhejiang UniversityVerifisert e-postadresse på zju.edu.cn
Yi-Zeng LiangProfessor of Analytical Chemistry and Chemometrics, Central South UniversityVerifisert e-postadresse på csu.edu.cn
Qing-Song XuSchool of Mathematics and Statistics, Central South UniversityVerifisert e-postadresse på csu.edu.cn
Aiping LuHong Kong Baptist UniversityVerifisert e-postadresse på hkbu.edu.hk
Hongdong LiCentral South University(current), Univ Michigan (prev), Institute for Systems Biology (Seattle)Verifisert e-postadresse på systemsbiology.org
Chang-Yu HsiehZhejiang UniversityVerifisert e-postadresse på zju.edu.cn
Chengkun WuState Key Laboratory of High Performance ComputingVerifisert e-postadresse på nudt.edu.cn
Yong-Huan Yun（云永欢）Hainan UniversityVerifisert e-postadresse på csu.edu.cn
Zhi-Jiang Yaocentral south universityVerifisert e-postadresse på csu.edu.cn
qiannan huTIB, CASVerifisert e-postadresse på tib.cas.cn
Xujun ZhangCollege of Pharmaceutical Science, Zhejiang UniversityVerifisert e-postadresse på zju.edu.cn
Defang OuyangUniversity of MacauVerifisert e-postadresse på um.edu.mo
Maomao ZengState Key Laboratory of Food Science and Technology, Jiangnan University, Wuxi, ChinaVerifisert e-postadresse på jiangnan.edu.cn
Nan XiaoMerck & Co., Inc.Verifisert e-postadresse på merck.com
Hongyu MiaoFlorida State UniversityVerifisert e-postadresse på fsu.edu
Min He 贺敏XiangTan UniversityVerifisert e-postadresse på xtu.edu.cn
Jie DongXiangya School of Pharmaceutical Sciences, Central South University, ChinaVerifisert e-postadresse på csu.edu.cn
Bai-Chuan DengUniversity of Bergen, Central South UniversityVerifisert e-postadresse på student.uib.no
Yong WangCentral South UniversityVerifisert e-postadresse på csu.edu.cn
Yilong YangBeihang UniversityVerifisert e-postadresse på buaa.edu.cn

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Dong-Sheng Cao (曹东升)

Professor of Xiangya School of Pharmaceutical Science Central South University China

Verifisert e-postadresse på csu.edu.cn - Startside

Cheminformatics Artificial Intelligence Drug Discovery Systems Biology Computer-Aided Drug Design


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ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties G Xiong, Z Wu, J Yi, L Fu, Z Yang, C Hsieh, M Yin, X Zeng, C Wu, A Lu, ... Nucleic acids research 49 (W1), W5-W14, 2021	1817	2021
Key wavelengths screening using competitive adaptive reweighted sampling method for multivariate calibration H Li, Y Liang, Q Xu, D Cao Analytica chimica acta 648 (1), 77-84, 2009	1780	2009
ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database J Dong, NN Wang, ZJ Yao, L Zhang, Y Cheng, D Ouyang, AP Lu, DS Cao Journal of cheminformatics 10, 1-11, 2018	748	2018
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, CY Hsieh, G Chen, B Liao, Z Wang, C Shen, D Cao, J Wu, ... Journal of cheminformatics 13, 1-23, 2021	579	2021
propy: a tool to generate various modes of Chou's PseAAC DS Cao, QS Xu, YZ Liang Bioinformatics, 2013	504	2013
An overview of variable selection methods in multivariate analysis of near-infrared spectra YH Yun, HD Li, BC Deng, DS Cao TrAC Trends in Analytical Chemistry 113, 102-115, 2019	474	2019
A strategy that iteratively retains informative variables for selecting optimal variable subset in multivariate calibration YH Yun, WT Wang, ML Tan, YZ Liang, HD Li, DS Cao, HM Lu, QS Xu Analytica chimica acta 807, 36-43, 2014	377	2014
ChemDes: an integrated web-based platform for molecular descriptor and fingerprint computation J Dong, DS Cao, HY Miao, S Liu, BC Deng, YH Yun, NN Wang, AP Lu, ... Journal of cheminformatics 7, 1-10, 2015	375	2015
An efficient method of wavelength interval selection based on random frog for multivariate spectral calibration YH Yun, HD Li, LRE Wood, W Fan, JJ Wang, DS Cao, QS Xu, YZ Liang Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 111, 31-36, 2013	360	2013
Protr: Protein sequence descriptor calculation and similarity computation with R N Xiao, Q Xu, D Cao R package version 0.2-1, URL http://CRAN. R-project. org/package= protr, 2014	356*	2014
TargetNet: a web service for predicting potential drug–target interaction profiling via multi-target SAR models ZJ Yao, J Dong, YJ Che, MF Zhu, M Wen, NN Wang, S Wang, AP Lu, ... Journal of computer-aided molecular design 30, 413-424, 2016	328	2016
A new strategy of outlier detection for QSAR/QSPR DS Cao, YZ Liang, QS Xu, HD Li, X Chen Journal of computational chemistry 31 (3), 592-602, 2010	326	2010
Model population analysis for variable selection HD Li, YZ Liang, QS Xu, DS Cao Journal of Chemometrics 24 (7‐8), 418-423, 2010	300	2010
Model-population analysis and its applications in chemical and biological modeling HD Li, YZ Liang, DS Cao, QS Xu TrAC Trends in Analytical Chemistry, 2012	262	2012
From machine learning to deep learning: Advances in scoring functions for protein–ligand docking C Shen, J Ding, Z Wang, D Cao, X Ding, T Hou Wiley Interdisciplinary Reviews: Computational Molecular Science, e1429, 2019	257	2019
ChemoPy: freely available python package for computational biology and chemoinformatics DS Cao, QS Xu, QN Hu, YZ Liang Bioinformatics 29 (8), 1092-1094, 2013	252	2013
ADME properties evaluation in drug discovery: prediction of Caco-2 cell permeability using a combination of NSGA-II and boosting NN Wang, J Dong, YH Deng, MF Zhu, M Wen, ZJ Yao, AP Lu, JB Wang, ... Journal of chemical information and modeling 56 (4), 763-773, 2016	225	2016
Recipe for uncovering predictive genes using support vector machines based on model population analysis HD Li, YZ Liang, QS Xu, DS Cao, BB Tan, BC Deng, CC Lin IEEE/ACM Transactions on Computational Biology and Bioinformatics 8 (6 …, 2011	211	2011
A unified drug–target interaction prediction framework based on knowledge graph and recommendation system Q Ye, CY Hsieh, Z Yang, Y Kang, J Chen, D Cao, S He, T Hou Nature communications 12 (1), 6775, 2021	202	2021
InteractionGraphNet: a novel and efficient deep graph representation learning framework for accurate protein–ligand interaction predictions D Jiang, CY Hsieh, Z Wu, Y Kang, J Wang, E Wang, B Liao, C Shen, L Xu, ... Journal of medicinal chemistry 64 (24), 18209-18232, 2021	180	2021

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