| 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 | 1261 | 2009 |
| propy: a tool to generate various modes of Chou's PseAAC DS Cao, QS Xu, YZ Liang Bioinformatics, 2013 | 452 | 2013 |
| 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 | 422 | 2021 |
| 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 | 396 | 2018 |
| 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 | 336 | 2014 |
| 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 | 322 | 2010 |
| 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 | 316 | 2013 |
| Model population analysis for variable selection HD Li, YZ Liang, QS Xu, DS Cao Journal of Chemometrics 24 (7‐8), 418-423, 2010 | 303 | 2010 |
| 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 | 261* | 2014 |
| 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 | 254 | 2012 |
| 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 | 236 | 2019 |
| 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), 1-10, 2015 | 227 | 2015 |
| 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 | 223 | 2011 |
| 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), 1-23, 2021 | 198 | 2021 |
| ChemoPy: freely available python package for computational biology and chemoinformatics DS Cao, QS Xu, QN Hu, YZ Liang Bioinformatics 29 (8), 1092-1094, 2013 | 192 | 2013 |
| 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 | 188 | 2016 |
| 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 | 133 | 2019 |
| 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 | 130 | 2016 |
| The boosting: A new idea of building models DS Cao, QS Xu, YZ Liang, LX Zhang, HD Li Chemometrics and Intelligent Laboratory Systems 100 (1), 1-11, 2010 | 123 | 2010 |
| Rcpi: R/Bioconductor package to generate various descriptors of proteins, compounds and their interactions DS Cao, N Xiao, QS Xu, AF Chen Bioinformatics 31 (2), 279-281, 2015 | 116 | 2015 |
Yi-Zeng LiangProfessor of Analytical Chemistry and Chemometrics, Central South University在 csu.edu.cn 的电子邮件经过验证
