| 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 | 1687 | 2009 |
| 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 | 1592 | 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 | 687 | 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 | 521 | 2021 |
| propy: a tool to generate various modes of Chou's PseAAC DS Cao, QS Xu, YZ Liang Bioinformatics, 2013 | 494 | 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 | 451 | 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 | 372 | 2014 |
| 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 | 356 | 2013 |
| 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 | 351 | 2015 |
| 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 | 339* | 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 | 332 | 2010 |
| 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 | 314 | 2016 |
| 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 | 264 | 2012 |
| ChemoPy: freely available python package for computational biology and chemoinformatics DS Cao, QS Xu, QN Hu, YZ Liang Bioinformatics 29 (8), 1092-1094, 2013 | 242 | 2013 |
| 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 | 237 | 2019 |
| 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 | 215 | 2011 |
| 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 | 209 | 2016 |
| 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 | 173 | 2021 |
| A bootstrapping soft shrinkage approach for variable selection in chemical modeling BC Deng, YH Yun, DS Cao, YL Yin, WT Wang, HM Lu, QY Luo, YZ Liang Analytica chimica acta 908, 63-74, 2016 | 167 | 2016 |
Tingjun HouQiushi Professor of Pharmaceutical Science, Zhejiang UniversityEmail verificata su zju.edu.cn
