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Yu Zong Chen - Publications

Affiliations: 
Computational Biology National University of Singapore, Singapore, Singapore 
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Year Citation  Score
2020 Chen S, Yang SY, Zeng X, Zhu F, Tan Y, Jiang YY, Chen YZ. Combining kinase inhibitors for optimally co-targeting cancer and drug escape by exploitation of drug target promiscuities. Drug Development Research. PMID 32931039 DOI: 10.1002/Ddr.21738  0.35
2020 Wang Y, Li F, Zhang Y, Zhou Y, Tan Y, Chen Y, Zhu F. Databases for the Targeted COVID-19 Therapeutics. British Journal of Pharmacology. PMID 32845521 DOI: 10.1111/Bph.15234  0.351
2019 Wang Y, Zhang S, Li F, Zhou Y, Zhang Y, Wang Z, Zhang R, Zhu J, Ren Y, Tan Y, Qin C, Li Y, Li X, Chen Y, Zhu F. Therapeutic target database 2020: enriched resource for facilitating research and early development of targeted therapeutics. Nucleic Acids Research. PMID 31691823 DOI: 10.1093/Nar/Gkz981  0.353
2019 Li YH, Li XX, Hong JJ, Wang YX, Fu JB, Yang H, Yu CY, Li FC, Hu J, Xue WW, Jiang YY, Chen YZ, Zhu F. Clinical trials, progression-speed differentiating features and swiftness rule of the innovative targets of first-in-class drugs. Briefings in Bioinformatics. PMID 30689717 DOI: 10.1093/Bib/Bby130  0.325
2018 Chen S, Yang SY, Chen Z, Tan Y, Jiang YY, Chen YZ. Drug sales confirm clinical advantage of multi-target inhibition of drug escapes by anticancer kinase inhibitors. Drug Development Research. PMID 30422335 DOI: 10.1002/Ddr.21486  0.343
2018 Lim VJY, Du W, Chen YZ, Fan H. A benchmarking study on virtual ligand screening against homology models of human GPCRs. Proteins. PMID 30051928 DOI: 10.1002/Prot.25533  0.322
2018 Xiao T, Qi X, Chen Y, Jiang Y. Development of Ligand-based Big Data Deep Neural Network Models for Virtual Screening of Large Compound Libraries. Molecular Informatics. PMID 29882343 DOI: 10.1002/Minf.201800031  0.311
2018 Li W, Gao C, Zhao L, Yuan Z, Chen Y, Jiang Y. Phthalimide conjugations for the degradation of oncogenic PI3K. European Journal of Medicinal Chemistry. 151: 237-247. PMID 29625382 DOI: 10.1016/J.Ejmech.2018.03.066  0.342
2018 Xue W, Wang P, Tu G, Yang F, Zheng G, Li X, Li X, Chen Y, Yao X, Zhu F. Computational identification of the binding mechanism of a triple reuptake inhibitor amitifadine for the treatment of major depressive disorder. Physical Chemistry Chemical Physics : Pccp. PMID 29451287 DOI: 10.1039/C7Cp07869B  0.351
2018 Yu CY, Li XX, Yang H, Li YH, Xue WW, Chen YZ, Tao L, Zhu F. Assessing the Performances of Protein Function Prediction Algorithms from the Perspectives of Identification Accuracy and False Discovery Rate. International Journal of Molecular Sciences. 19. PMID 29316706 DOI: 10.3390/Ijms19010183  0.336
2018 Xue W, Yang F, Wang P, Zheng G, Chen Y, Yao X, Zhu F. What Contributes to SNRIs' Dual-targeting Mechanism? The Key Role of TM6 Domain in hSERT and hNET Revealed by Molecular Dynamics Simulation. Acs Chemical Neuroscience. PMID 29300091 DOI: 10.1021/Acschemneuro.7B00490  0.343
2017 Zhu F, Li XX, Yang SY, Chen YZ. Clinical Success of Drug Targets Prospectively Predicted by In Silico Study. Trends in Pharmacological Sciences. PMID 29295742 DOI: 10.1016/J.Tips.2017.12.002  0.341
2017 Li YH, Yu CY, Li XX, Zhang P, Tang J, Yang Q, Fu T, Zhang X, Cui X, Tu G, Zhang Y, Li S, Yang F, Sun Q, Qin C, ... ... Chen YZ, et al. Therapeutic target database update 2018: enriched resource for facilitating bench-to-clinic research of targeted therapeutics. Nucleic Acids Research. PMID 29140520 DOI: 10.1093/Nar/Gkx1076  0.335
2017 Zheng G, Xue W, Yang F, Zhang Y, Chen Y, Yao X, Zhu F. Revealing vilazodone's binding mechanism underlying its partial agonism to the 5-HT1A receptor in the treatment of major depressive disorder. Physical Chemistry Chemical Physics : Pccp. PMID 29057413 DOI: 10.1039/C7Cp05688E  0.32
2017 Wang P, Fu T, Zhang X, Yang F, Zheng G, Xue W, Chen Y, Yao X, Zhu F. Differentiating Physicochemical Properties between NDRIs and sNRIs Clinically Important for the Treatment of ADHD. Biochimica Et Biophysica Acta. PMID 28757337 DOI: 10.1016/J.Bbagen.2017.07.022  0.319
2017 Shen W, Xiao T, Chen S, Liu F, Chen YZ, Jiang Y. Predicting the Enzymatic Hydrolysis Half-lives of New Chemicals Using Support Vector Regression Models Based on Stepwise Feature Elimination. Molecular Informatics. PMID 28627805 DOI: 10.1002/Minf.201600153  0.339
2017 Yuan Z, Chen S, Sun Q, Wang N, Li D, Miao S, Gao C, Chen Y, Tan C, Jiang Y. Olaparib hydroxamic acid derivatives as dual PARP and HDAC inhibitors for cancer therapy. Bioorganic & Medicinal Chemistry. PMID 28601509 DOI: 10.1016/J.Bmc.2017.05.058  0.303
2017 Wang P, Zhang X, Fu T, Li S, Li B, Xue W, Yao XJ, Chen Y, Zhu F. Differentiating Physicochemical Properties between Addictive and Non-addictive ADHD Drugs Revealed by Molecular Dynamics Simulation Studies. Acs Chemical Neuroscience. PMID 28557437 DOI: 10.1021/Acschemneuro.7B00173  0.307
2017 Li D, Yuan Z, Chen S, Zhang C, Song L, Gao C, Chen Y, Tan C, Jiang Y. Synthesis and biological research of novel azaacridine derivatives as potent DNA-binding ligands and topoisomerase II inhibitors. Bioorganic & Medicinal Chemistry. PMID 28511910 DOI: 10.1016/J.Bmc.2017.04.030  0.318
2017 Yuan Z, Sun Q, Li D, Miao S, Chen S, Song L, Gao C, Chen Y, Tan C, Jiang Y. Design, synthesis and anticancer potential of NSC-319745 hydroxamic acid derivatives as DNMT and HDAC inhibitors. European Journal of Medicinal Chemistry. 134: 281-292. PMID 28419930 DOI: 10.1016/J.Ejmech.2017.04.017  0.318
2017 Huang L, Jiang Y, Chen Y. Predicting Drug Combination Index and Simulating the Network-Regulation Dynamics by Mathematical Modeling of Drug-Targeted EGFR-ERK Signaling Pathway. Scientific Reports. 7: 40752. PMID 28102344 DOI: 10.1038/Srep40752  0.365
2016 Ding C, Chen S, Zhang C, Hu G, Zhang W, Li L, Chen YZ, Tan C, Jiang Y. Synthesis and investigation of novel 6-(1,2,3-triazol-4-yl)-4-aminoquinazolin derivatives possessing hydroxamic acid moiety for cancer therapy. Bioorganic & Medicinal Chemistry. PMID 27769671 DOI: 10.1016/J.Bmc.2016.10.006  0.309
2016 Zhang P, Tao L, Zeng X, Qin C, Chen S, Zhu F, Li Z, Jiang Y, Chen W, Chen YZ. A protein network descriptor server and its use in studying protein, disease, metabolic and drug targeted networks. Briefings in Bioinformatics. PMID 27542402 DOI: 10.1093/Bib/Bbw071  0.305
2016 Li YH, Xu JY, Tao L, Li XF, Li S, Zeng X, Chen SY, Zhang P, Qin C, Zhang C, Chen Z, Zhu F, Chen YZ. SVM-Prot 2016: A Web-Server for Machine Learning Prediction of Protein Functional Families from Sequence Irrespective of Similarity. Plos One. 11: e0155290. PMID 27525735 DOI: 10.1371/Journal.Pone.0155290  0.315
2016 Chen S, Zhang P, Liu X, Qin C, Tao L, Zhang C, Yang SY, Chen YZ, Chui WK. Towards cheminformatics-based estimation of drug therapeutic index: Predicting the protective index of anticonvulsants using a new quantitative structure-index relationship approach. Journal of Molecular Graphics & Modelling. 67: 102-110. PMID 27262528 DOI: 10.1016/J.Jmgm.2016.05.006  0.353
2016 Xue W, Wang P, Li B, Li Y, Xu X, Yang F, Yao X, Chen YZ, Xu F, Zhu F. Identification of the inhibitory mechanism of FDA approved selective serotonin reuptake inhibitors: an insight from molecular dynamics simulation study. Physical Chemistry Chemical Physics : Pccp. PMID 26745505 DOI: 10.1039/C5Cp05771J  0.348
2016 Yang H, Qin C, Li YH, Tao L, Zhou J, Yu CY, Xu F, Chen Z, Zhu F, Chen YZ. Therapeutic target database update 2016: enriched resource for bench to clinical drug target and targeted pathway information. Nucleic Acids Research. 44: D1069-74. PMID 26578601 DOI: 10.1093/Nar/Gkv1230  0.35
2015 Cui Z, Li X, Li L, Zhang B, Gao C, Chen Y, Tan C, Liu H, Xie W, Yang T, Jiang Y. Design, synthesis and evaluation of acridine derivatives as multi-target Src and MEK kinase inhibitors for anti-tumor treatment. Bioorganic & Medicinal Chemistry. PMID 26707846 DOI: 10.1016/J.Bmc.2015.12.011  0.321
2015 Tao L, Zhu F, Xu F, Chen Z, Jiang YY, Chen YZ. Co-Targeting Cancer Drug Escape Pathways Confers Clinical Advantage for Multi-Target Anticancer Drugs. Pharmacological Research. PMID 26438971 DOI: 10.1016/J.Phrs.2015.09.019  0.33
2015 Tao L, Zhang P, Qin C, Chen SY, Zhang C, Chen Z, Zhu F, Yang SY, Wei YQ, Chen YZ. Recent progresses in the exploration of machine learning methods as in-silico ADME prediction tools. Advanced Drug Delivery Reviews. 86: 83-100. PMID 26037068 DOI: 10.1016/J.Addr.2015.03.014  0.343
2015 Tao L, Zhu F, Qin C, Zhang C, Chen S, Zhang P, Zhang C, Tan C, Gao C, Chen Z, Jiang Y, Chen YZ. Clustered distribution of natural product leads of drugs in the chemical space as influenced by the privileged target-sites. Scientific Reports. 5: 9325. PMID 25790752 DOI: 10.1038/Srep09325  0.315
2015 Zhang C, Tao L, Qin C, Zhang P, Chen S, Zeng X, Xu F, Chen Z, Yang SY, Chen YZ. CFam: a chemical families database based on iterative selection of functional seeds and seed-directed compound clustering. Nucleic Acids Research. 43: D558-65. PMID 25414339 DOI: 10.1093/Nar/Gku1212  0.314
2014 Ding C, Zhang C, Zhang M, Chen YZ, Tan C, Tan Y, Jiang Y. Multitarget inhibitors derived from crosstalk mechanism involving VEGFR2. Future Medicinal Chemistry. 6: 1771-89. PMID 25407368 DOI: 10.4155/Fmc.14.112  0.318
2014 Zhou S, Li GB, Huang LY, Xie HZ, Zhao YL, Chen YZ, Li LL, Yang SY. A prediction model of drug-induced ototoxicity developed by an optimal support vector machine (SVM) method. Computers in Biology and Medicine. 51: 122-7. PMID 24907415 DOI: 10.1016/J.Compbiomed.2014.05.005  0.348
2014 Qin C, Zhang C, Zhu F, Xu F, Chen SY, Zhang P, Li YH, Yang SY, Wei YQ, Tao L, Chen YZ. Therapeutic target database update 2014: a resource for targeted therapeutics. Nucleic Acids Research. 42: D1118-23. PMID 24265219 DOI: 10.1093/Nar/Gkt1129  0.322
2013 Jin F, Gao D, Wu Q, Liu F, Chen Y, Tan C, Jiang Y. Exploration of N-(2-aminoethyl)piperidine-4-carboxamide as a potential scaffold for development of VEGFR-2, ERK-2 and Abl-1 multikinase inhibitor. Bioorganic & Medicinal Chemistry. 21: 5694-706. PMID 23932071 DOI: 10.1016/J.Bmc.2013.07.026  0.329
2013 Liu X, Zhu F, Ma XH, Shi Z, Yang SY, Wei YQ, Chen YZ. Predicting targeted polypharmacology for drug repositioning and multi- target drug discovery. Current Medicinal Chemistry. 20: 1646-61. PMID 23410165 DOI: 10.2174/0929867311320130005  0.378
2012 Qin C, Tan KL, Zhang CL, Tan CY, Chen YZ, Jiang YY. What does it take to synergistically combine sub-potent natural products into drug-level potent combinations? Plos One. 7: e49969. PMID 23209627 DOI: 10.1371/Journal.Pone.0049969  0.308
2012 Han B, Ma X, Zhao R, Zhang J, Wei X, Liu X, Liu X, Zhang C, Tan C, Jiang Y, Chen Y. Development and experimental test of support vector machines virtual screening method for searching Src inhibitors from large compound libraries. Chemistry Central Journal. 6: 139. PMID 23173901 DOI: 10.1186/1752-153X-6-139  0.341
2012 Ma XH, Zhu F, Liu X, Shi Z, Zhang JX, Yang SY, Wei YQ, Chen YZ. Virtual screening methods as tools for drug lead discovery from large chemical libraries. Current Medicinal Chemistry. 19: 5562-71. PMID 23016548 DOI: 10.2174/092986712803833245  0.308
2012 Zou J, Ji P, Zhao YL, Li LL, Wei YQ, Chen YZ, Yang SY. Neighbor communities in drug combination networks characterize synergistic effect. Molecular Biosystems. 8: 3185-96. PMID 23014807 DOI: 10.1039/C2Mb25267H  0.357
2012 Liu X, Shi Z, Xue Y, Rong Li Z, Yang SY, Wei YQ, Chen YZ. In silico prediction of adverse drug reactions and toxicities based on structural, biological and clinical data. Current Drug Safety. 7: 225-37. PMID 22950377 DOI: 10.2174/157488612803251351  0.31
2012 Zhang J, Jia J, Zhu F, Ma X, Han B, Wei X, Tan C, Jiang Y, Chen Y. Analysis of bypass signaling in EGFR pathway and profiling of bypass genes for predicting response to anticancer EGFR tyrosine kinase inhibitors. Molecular Biosystems. 8: 2645-56. PMID 22833077 DOI: 10.1039/C2Mb25165E  0.328
2012 Zhu F, Ma XH, Qin C, Tao L, Liu X, Shi Z, Zhang CL, Tan CY, Chen YZ, Jiang YY. Drug discovery prospect from untapped species: indications from approved natural product drugs. Plos One. 7: e39782. PMID 22808057 DOI: 10.1371/Journal.Pone.0039782  0.301
2012 Zhang J, Han B, Wei X, Tan C, Chen Y, Jiang Y. A two-step target binding and selectivity support vector machines approach for virtual screening of dopamine receptor subtype-selective ligands. Plos One. 7: e39076. PMID 22720033 DOI: 10.1371/Journal.Pone.0039076  0.313
2012 Shi Z, Ma XH, Qin C, Jia J, Jiang YY, Tan CY, Chen YZ. Combinatorial support vector machines approach for virtual screening of selective multi-target serotonin reuptake inhibitors from large compound libraries. Journal of Molecular Graphics & Modelling. 32: 49-66. PMID 22064367 DOI: 10.1016/J.Jmgm.2011.09.002  0.328
2012 Zhu F, Shi Z, Qin C, Tao L, Liu X, Xu F, Zhang L, Song Y, Liu X, Zhang J, Han B, Zhang P, Chen Y. Therapeutic target database update 2012: a resource for facilitating target-oriented drug discovery. Nucleic Acids Research. 40: D1128-36. PMID 21948793 DOI: 10.1093/Nar/Gkr797  0.337
2012 Rao H, Zeng X, Wang Y, He H, Zhu F, Li Z, Chen Y. Identification of DNA adduct formation of small molecules by molecular descriptors and machine learning methods Molecular Simulation. 38: 259-273. DOI: 10.1080/08927022.2011.616891  0.312
2011 Wang W, Zhou X, He W, Fan Y, Chen Y, Chen X. The interprotein scoring noises in glide docking scores. Proteins. 80: 169-83. PMID 22038758 DOI: 10.1002/Prot.23173  0.353
2011 Li Y, Tan C, Gao C, Zhang C, Luan X, Chen X, Liu H, Chen Y, Jiang Y. Discovery of benzimidazole derivatives as novel multi-target EGFR, VEGFR-2 and PDGFR kinase inhibitors. Bioorganic & Medicinal Chemistry. 19: 4529-35. PMID 21724404 DOI: 10.1016/J.Bmc.2011.06.022  0.313
2011 Liu X, Zhu F, Ma X, Tao L, Zhang J, Yang S, Wei Y, Chen YZ. The Therapeutic Target Database: an internet resource for the primary targets of approved, clinical trial and experimental drugs. Expert Opinion On Therapeutic Targets. 15: 903-912. PMID 21619487 DOI: 10.1517/14728222.2011.586635  0.346
2011 Luan X, Gao C, Zhang N, Chen Y, Sun Q, Tan C, Liu H, Jin Y, Jiang Y. Exploration of acridine scaffold as a potentially interesting scaffold for discovering novel multi-target VEGFR-2 and Src kinase inhibitors. Bioorganic & Medicinal Chemistry. 19: 3312-9. PMID 21576023 DOI: 10.1016/J.Bmc.2011.04.053  0.314
2011 Kumar P, Ma X, Liu X, Jia J, Bucong H, Xue Y, Li ZR, Yang SY, Wei YQ, Chen YZ. Effect of training data size and noise level on support vector machines virtual screening of genotoxic compounds from large compound libraries. Journal of Computer-Aided Molecular Design. 25: 455-67. PMID 21556903 DOI: 10.1007/S10822-011-9431-3  0.305
2011 Zhang C, Tan C, Zu X, Zhai X, Liu F, Chu B, Ma X, Chen Y, Gong P, Jiang Y. Exploration of (S)-3-aminopyrrolidine as a potentially interesting scaffold for discovery of novel Abl and PI3K dual inhibitors. European Journal of Medicinal Chemistry. 46: 1404-14. PMID 21295380 DOI: 10.1016/J.Ejmech.2011.01.020  0.329
2011 Ye H, Ye L, Kang H, Zhang D, Tao L, Tang K, Liu X, Zhu R, Liu Q, Chen YZ, Li Y, Cao Z. HIT: linking herbal active ingredients to targets. Nucleic Acids Research. 39: D1055-9. PMID 21097881 DOI: 10.1093/Nar/Gkq1165  0.364
2010 Liu XH, Song HY, Zhang JX, Han BC, Wei XN, Ma XH, Cui WK, Chen YZ. Identifying Novel Type ZBGs and Nonhydroxamate HDAC Inhibitors Through a SVM Based Virtual Screening Approach. Molecular Informatics. 29: 407-20. PMID 27463196 DOI: 10.1002/Minf.200900014  0.31
2010 Ma XH, Shi Z, Tan C, Jiang Y, Go ML, Low BC, Chen YZ. In-silico approaches to multi-target drug discovery : computer aided multi-target drug design, multi-target virtual screening. Pharmaceutical Research. 27: 739-49. PMID 20221898 DOI: 10.1007/S11095-010-0065-2  0.33
2010 Zhu F, Han B, Kumar P, Liu X, Ma X, Wei X, Huang L, Guo Y, Han L, Zheng C, Chen Y. Update of TTD: Therapeutic Target Database. Nucleic Acids Research. 38: D787-91. PMID 19933260 DOI: 10.1093/Nar/Gkp1014  0.352
2010 Rao H, Li Z, Li X, Ma X, Ung C, Li H, Liu X, Chen Y. Identification of small molecule aggregators from large compound libraries by support vector machines. Journal of Computational Chemistry. 31: 752-63. PMID 19569201 DOI: 10.1002/Jcc.21347  0.442
2010 Liu XH, Song HY, Ma XH, Lear MJ, Chen YZ. Virtual screening prediction of new potential organocatalysts for direct aldol reactions Journal of Molecular Catalysis a: Chemical. 319: 114-118. DOI: 10.1016/J.Molcata.2009.12.008  0.305
2009 Tang ZQ, Lin HH, Zhang HL, Han LY, Chen X, Chen YZ. Prediction of functional class of proteins and peptides irrespective of sequence homology by support vector machines. Bioinformatics and Biology Insights. 1: 19-47. PMID 20066123 DOI: 10.4137/Bbi.S315  0.332
2009 Yang X, Lv W, Chen YZ, Xue Y. In silico prediction and screening of gamma-secretase inhibitors by molecular descriptors and machine learning methods. Journal of Computational Chemistry. 31: 1249-1258. PMID 19847781 DOI: 10.1002/Jcc.21411  0.334
2009 Liu XH, Ma XH, Tan CY, Jiang YY, Go ML, Low BC, Chen YZ. Virtual screening of Abl inhibitors from large compound libraries by support vector machines. Journal of Chemical Information and Modeling. 49: 2101-10. PMID 19689138 DOI: 10.1021/Ci900135U  0.354
2009 Li H, Ung CY, Ma XH, Liu XH, Li BW, Low BC, Chen YZ. Pathway sensitivity analysis for detecting pro-proliferation activities of oncogenes and tumor suppressors of epidermal growth factor receptor-extracellular signal-regulated protein kinase pathway at altered protein levels. Cancer. 115: 4246-63. PMID 19551902 DOI: 10.1002/Cncr.24485  0.399
2009 Zhu F, Han L, Zheng C, Xie B, Tammi MT, Yang S, Wei Y, Chen Y. What are next generation innovative therapeutic targets? Clues from genetic, structural, physicochemical, and systems profiles of successful targets. Journal of Pharmacology and Experimental Therapeutics. 330: 304-315. PMID 19357322 DOI: 10.1124/Jpet.108.149955  0.306
2009 Jia J, Zhu F, Ma X, Cao ZW, Li YX, Chen YZ. Mechanisms of drug combinations: interaction and network perspectives. Nature Reviews Drug Discovery. 8: 111-128. PMID 19180105 DOI: 10.1038/Nrd2683  0.358
2009 Li H, Ung CY, Ma XH, Li BW, Low BC, Cao ZW, Chen YZ. Simulation of crosstalk between small GTPase RhoA and EGFR-ERK signaling pathway via MEKK1. Bioinformatics (Oxford, England). 25: 358-64. PMID 19074159 DOI: 10.1093/Bioinformatics/Btn635  0.407
2009 Yang XG, Chen D, Wang M, Xue Y, Chen YZ. Prediction of antibacterial compounds by machine learning approaches. Journal of Computational Chemistry. 30: 1202-11. PMID 18988254 DOI: 10.1002/Jcc.21148  0.326
2009 Chen X, Zhou H, Liu YB, Wang JF, Li H, Ung CY, Han LY, Cao ZW, Chen YZ. Database of traditional Chinese medicine and its application to studies of mechanism and to prescription validation British Journal of Pharmacology. 149: 1092-1103. PMID 17088869 DOI: 10.1038/Sj.Bjp.0706945  0.329
2008 Zhu F, Zheng CJ, Han LY, Xie B, Jia J, Liu X, Tammi MT, Yang SY, Wei YQ, Chen YZ. Trends in the Exploration of Anticancer Targets and Strategies in Enhancing the Efficacy of Drug Targeting Current Molecular Pharmacology. 1: 213-232. PMID 20021435 DOI: 10.2174/1874467210801030213  0.338
2008 Ma XH, Wang R, Xue Y, Li ZR, Yang SY, Wei YQ, Chen YZ. Advances in machine learning prediction of toxicological properties and adverse drug reactions of pharmaceutical agents. Current Drug Safety. 3: 100-14. PMID 18690988 DOI: 10.2174/157488608784529224  0.375
2008 Ung CY, Li H, Ma XH, Jia J, Li BW, Low BC, Chen YZ. Simulation of the regulation of EGFR endocytosis and EGFR-ERK signaling by endophilin-mediated RhoA-EGFR crosstalk. Febs Letters. 582: 2283-90. PMID 18505685 DOI: 10.1016/J.Febslet.2008.05.026  0.38
2008 Chen YZ, Zhu F, Han LY, Chen X, Lin HH, Ong S, Xie B, Zhang HL. Homology-Free Prediction of Functional Class of Proteins and Peptides by Support Vector Machines Current Protein & Peptide Science. 9: 70-95. PMID 18336324 DOI: 10.2174/138920308783565697  0.307
2008 Han LY, Ma XH, Lin HH, Jia J, Zhu F, Xue Y, Li ZR, Cao ZW, Ji ZL, Chen YZ. A support vector machines approach for virtual screening of active compounds of single and multiple mechanisms from large libraries at an improved hit-rate and enrichment factor. Journal of Molecular Graphics & Modelling. 26: 1276-86. PMID 18218332 DOI: 10.1016/J.Jmgm.2007.12.002  0.331
2007 Yap CW, Li H, Ji ZL, Chen YZ. Regression methods for developing QSAR and QSPR models to predict compounds of specific pharmacodynamic, pharmacokinetic and toxicological properties. Mini-Reviews in Medicinal Chemistry. 7: 1097-1107. PMID 18045213 DOI: 10.2174/138955707782331696  0.339
2007 Xu H, Xu H, Lin M, Wang W, Li Z, Huang J, Chen Y, Chen X. Learning the drug target-likeness of a protein. Proteomics. 7: 4255-63. PMID 17963289 DOI: 10.1002/Pmic.200700062  0.386
2007 Chen X, Zheng CJ, Han LY, Xie B, Chen YZ. Trends in the exploration of therapeutic targets for the treatment of endocrine, metabolic and immune disorders. Endocrine‚ Metabolic & Immune Disorders-Drug Targets. 7: 225-231. PMID 17897049 DOI: 10.2174/187153007781662576  0.341
2007 Li H, Yap CW, Ung CY, Xue Y, Li ZR, Han LY, Lin HH, Chen YZ. Machine learning approaches for predicting compounds that interact with therapeutic and ADMET related proteins. Journal of Pharmaceutical Sciences. 96: 2838-60. PMID 17786989 DOI: 10.1002/Jps.20985  0.384
2007 Ong SA, Lin HH, Chen YZ, Li ZR, Cao Z. Efficacy of different protein descriptors in predicting protein functional families. Bmc Bioinformatics. 8: 300. PMID 17705863 DOI: 10.1186/1471-2105-8-300  0.316
2007 Kang L, Yap CW, Lim PF, Chen YZ, Ho PC, Chan YW, Wong GP, Chan SY. Formulation development of transdermal dosage forms: quantitative structure-activity relationship model for predicting activities of terpenes that enhance drug penetration through human skin. Journal of Controlled Release : Official Journal of the Controlled Release Society. 120: 211-9. PMID 17582639 DOI: 10.1016/J.Jconrel.2007.05.006  0.316
2007 Xu H, Fang Y, Yao L, Chen Y, Chen X. Does drug-target have a likeness? Methods of Information in Medicine. 46: 360-366. PMID 17492123 DOI: 10.1160/Me0425  0.354
2007 Zhang JX, Huang WJ, Zeng JH, Huang WH, Wang Y, Zhao R, Han BC, Liu QF, Chen YZ, Ji ZL. DITOP: drug-induced toxicity related protein database. Bioinformatics (Oxford, England). 23: 1710-2. PMID 17463030 DOI: 10.1093/Bioinformatics/Btm139  0.34
2007 Lin HH, Han LY, Yap CW, Xue Y, Liu XH, Zhu F, Chen YZ. Prediction of factor Xa inhibitors by machine learning methods. Journal of Molecular Graphics & Modelling. 26: 505-18. PMID 17418603 DOI: 10.1016/J.Jmgm.2007.03.003  0.352
2007 Han LY, Zheng CJ, Xie B, Jia J, Ma XH, Zhu F, Lin HH, Chen X, Chen YZ. Support vector machines approach for predicting druggable proteins: recent progress in its exploration and investigation of its usefulness. Drug Discovery Today. 12: 304-313. PMID 17395090 DOI: 10.1016/J.Drudis.2007.02.015  0.383
2007 Ung CY, Li H, Cao ZW, Li YX, Chen YZ. Are herb-pairs of traditional Chinese medicine distinguishable from others? Pattern analysis and artificial intelligence classification study of traditionally defined herbal properties. Journal of Ethnopharmacology. 111: 371-7. PMID 17267151 DOI: 10.1016/J.Jep.2006.11.037  0.421
2007 Chen X, Li H, Yap CW, Ung CY, Jiang L, Cao ZW, Li YX, Chen YZ. Computer prediction of cardiovascular and hematological agents by statistical learning methods. Cardiovascular and Hematological Agents in Medicinal Chemistry. 5: 11-19. PMID 17266544 DOI: 10.2174/187152507779315787  0.32
2007 Zheng CJ, Han LY, Xie B, Liew CY, Ong S, Cui J, Zhang HL, Tang ZQ, Gan SH, Jiang L, Chen YZ. PharmGED: Pharmacogenetic Effect Database. Nucleic Acids Research. 35: 794-799. PMID 17151074 DOI: 10.1093/Nar/Gkl853  0.318
2007 Li ZR, Han LY, Xue Y, Yap CW, Li H, Jiang L, Chen YZ. MODEL-molecular descriptor lab: a web-based server for computing structural and physicochemical features of compounds. Biotechnology and Bioengineering. 97: 389-96. PMID 17013940 DOI: 10.1002/Bit.21214  0.304
2007 Cui J, Han LY, Lin HH, Zhang HL, Tang ZQ, Zheng CJ, Cao ZW, Chen YZ. Prediction of MHC-binding peptides of flexible lengths from sequence-derived structural and physicochemical properties. Molecular Immunology. 44: 866-877. PMID 16806474 DOI: 10.1016/J.Molimm.2006.04.001  0.302
2007 Cui J, Han LY, Li H, Ung CY, Tang ZQ, Zheng CJ, Cao ZW, Chen YZ. Computer prediction of allergen proteins from sequence-derived protein structural and physicochemical properties. Molecular Immunology. 44: 514-20. PMID 16563508 DOI: 10.1016/J.Molimm.2006.02.010  0.445
2007 Cui J, Han L, Lin H, Tang Z, Ji Z, Cao Z, Li Y, Chen Y. Advances in Exploration of Machine Learning Methods for Predicting Functional Class and Interaction Profiles of Proteins and Peptides Irrespective of Sequence Homology Current Bioinformatics. 2: 95-112. DOI: 10.2174/157489307780618222  0.309
2006 Ung CY, Li H, Yap CW, Chen YZ. In silico prediction of pregnane X receptor activators by machine learning approaches. Molecular Pharmacology. 71: 158-68. PMID 17003167 DOI: 10.1124/Mol.106.027623  0.343
2006 Yap CW, Xue Y, Chen YZ. Application of support vector machines to in silico prediction of cytochrome p450 enzyme substrates and inhibitors. Current Topics in Medicinal Chemistry. 6: 1593-1607. PMID 16918471 DOI: 10.2174/156802606778108942  0.348
2006 Xue Y, Li H, Ung CY, Yap CW, Chen YZ. Classification of a Diverse Set of Tetrahymena pyriformis Toxicity Chemical Compounds from Molecular Descriptors by Statistical Learning Methods Chemical Research in Toxicology. 19: 1030-1039. PMID 16918241 DOI: 10.1021/Tx0600550  0.326
2006 Han L, Cui J, Lin H, Ji Z, Cao Z, Li Y, Chen Y. Recent progresses in the application of machine learning approach for predicting protein functional class independent of sequence similarity. Proteomics. 6: 4023-4037. PMID 16791826 DOI: 10.1002/Pmic.200500938  0.337
2006 Zheng CJ, Han LY, Yap CW, Ji ZL, Cao ZW, Chen YZ. Therapeutic targets: progress of their exploration and investigation of their characteristics. Pharmacological Reviews. 58: 259-79. PMID 16714488 DOI: 10.1124/Pr.58.2.4  0.368
2006 Zheng C, Han L, Yap CW, Xie B, Chen Y. Progress and problems in the exploration of therapeutic targets. Drug Discovery Today. 11: 412-20. PMID 16635803 DOI: 10.1016/J.Drudis.2006.03.012  0.341
2006 Yap CW, Xue Y, Li H, Li ZR, Ung CY, Han LY, Zheng CJ, Cao ZW, Chen YZ. Prediction of compounds with specific pharmacodynamic, pharmacokinetic or toxicological property by statistical learning methods. Mini Reviews in Medicinal Chemistry. 6: 449-59. PMID 16613581 DOI: 10.2174/138955706776361501  0.338
2006 Ji ZL, Wang Y, Yu L, Han LY, Zheng CJ, Chen YZ. In silico search of putative adverse drug reaction related proteins as a potential tool for facilitating drug adverse effect prediction. Toxicology Letters. 164: 104-12. PMID 16563668 DOI: 10.1016/J.Toxlet.2005.11.017  0.362
2006 Li H, Ung CY, Yap CW, Xue Y, Li ZR, Chen YZ. Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. Journal of Molecular Graphics & Modelling. 25: 313-323. PMID 16497524 DOI: 10.1016/J.Jmgm.2006.01.007  0.313
2006 Cui J, Han LY, Cai CZ, Zheng CJ, Ji ZL, Chen YZ. Prediction of functional class of novel bacterial proteins without the use of sequence similarity by a statistical learning method. Journal of Molecular Microbiology and Biotechnology. 9: 86-100. PMID 16319498 DOI: 10.1159/000088839  0.306
2006 Yap CW, Li ZR, Chen YZ. Quantitative structure-pharmacokinetic relationships for drug clearance by using statistical learning methods. Journal of Molecular Graphics & Modelling. 24: 383-395. PMID 16290201 DOI: 10.1016/J.Jmgm.2005.10.004  0.34
2006 Zheng C, Han L, Chen X, Cao Z, Cui J, Lin H, Zhang H, Li H, Chen Y. Information of ADME-Associated Proteins and Potential Application for Pharmacogenetic Prediction of Drug Responses Current Pharmacogenomics. 4: 87-103. DOI: 10.2174/157016006776286819  0.323
2005 Li H, Yap CW, Ung CY, Xue Y, Cao ZW, Chen YZ. Effect of selection of molecular descriptors on the prediction of blood-brain barrier penetrating and nonpenetrating agents by statistical learning methods. Journal of Chemical Information and Modeling. 45: 1376-84. PMID 16180914 DOI: 10.1021/Ci050135U  0.471
2005 Yap CW, Chen YZ. Prediction of cytochrome P450 3A4, 2D6, and 2C9 inhibitors and substrates by using support vector machines. Journal of Chemical Information and Modeling. 45: 982-992. PMID 16045292 DOI: 10.1021/Ci0500536  0.315
2005 Wang JF, Cai CZ, Kong CY, Cao ZW, Chen YZ. A computer method for validating traditional Chinese medicine herbal prescriptions American Journal of Chinese Medicine. 33: 281-297. PMID 15974487 DOI: 10.1142/S0192415X05002825  0.322
2005 Li H, Ung CY, Yap CW, Xue Y, Li ZR, Cao ZW, Chen YZ. Prediction of Genotoxicity of Chemical Compounds by Statistical Learning Methods Chemical Research in Toxicology. 18: 1071-1080. PMID 15962942 DOI: 10.1021/Tx049652H  0.36
2005 Cao ZW, Han LY, Zheng CJ, Ji ZL, Chen X, Lin HH, Chen YZ. Computer prediction of drug resistance mutations in proteins. Drug Discovery Today. 10: 521-9. PMID 15809198 DOI: 10.1016/S1359-6446(05)03377-5  0.313
2005 Yap CW, Chen YZ. Quantitative Structure-Pharmacokinetic Relationships for Drug Distribution Properties by Using General Regression Neural Network Journal of Pharmaceutical Sciences. 94: 153-168. PMID 15761939 DOI: 10.1002/Jps.20232  0.325
2005 Zhou S, Chan E, Duan W, Huang M, Chen YZ. Drug bioactivation, covalent binding to target proteins and toxicity relevance. Drug Metabolism Reviews. 37: 41-213. PMID 15747500 DOI: 10.1081/Dmr-200028812  0.329
2005 Lo SL, Cai CZ, Chen YZ, Chung MCM. Effect of training datasets on support vector machine prediction of protein-protein interactions Proteomics. 5: 876-884. PMID 15717327 DOI: 10.1002/Pmic.200401118  0.303
2005 Han LY, Cai CZ, Ji ZL, Chen YZ. Prediction of functional class of novel viral proteins by a statistical learning method irrespective of sequence similarity. Virology. 331: 136-43. PMID 15582660 DOI: 10.1016/J.Virol.2004.10.020  0.301
2005 Xue Y, Li ZR, Yap CW, Sun LZ, Chen X, Chen YZ. Effect of molecular descriptor feature selection in support vector machine classification of pharmacokinetic and toxicological properties of chemical agents. Journal of Chemical Information and Computer Sciences. 44: 1630-8. PMID 15446820 DOI: 10.1021/Ci049869H  0.339
2005 Ji ZL, Han LY, Zheng CJ, Cao ZW, Chen YZ. Prediction of Putative Adverse Drug Reaction-Related Proteins from Primary Sequence by Support Vector Machines International Journal of Pharmaceutical Medicine. 19: 317-322. DOI: 10.2165/00124363-200519050-00009  0.336
2005 Li H, Yap CW, Xue Y, Li ZR, Ung CY, Han LY, Chen YZ. Statistical learning approach for predicting specific pharmacodynamic, pharmacokinetic, or toxicological properties of pharmaceutical agents Drug Development Research. 66: 245-259. DOI: 10.1002/Ddr.20044  0.375
2004 Xue Y, Yap CW, Sun LZ, Cao ZW, Wang JF, Chen YZ. Prediction of P-glycoprotein substrates by a support vector machine approach. Journal of Chemical Information and Computer Sciences. 44: 1497-1505. PMID 15272858 DOI: 10.1021/Ci049971E  0.315
2004 Zheng CJ, Zhou H, Xie B, Han LY, Yap CW, Chen YZ. TRMP: a database of therapeutically relevant multiple pathways. Bioinformatics (Oxford, England). 20: 2236-41. PMID 15059817 DOI: 10.1093/Bioinformatics/Bth233  0.342
2004 Yap CW, Cai CZ, Xue Y, Chen YZ. Prediction of Torsade-Causing Potential of Drugs by Support Vector Machine Approach Toxicological Sciences. 79: 170-177. PMID 14976348 DOI: 10.1093/Toxsci/Kfh082  0.358
2004 Zheng CJ, Sun LZ, Han LY, Ji ZL, Chen X, Chen YZ. Drug ADME‐associated protein database as a resource for facilitating pharmacogenomics research Drug Development Research. 62: 134-142. DOI: 10.1002/Ddr.10376  0.351
2003 Chen X, Ung CY, Chen Y. Can an in silico drug-target search method be used to probe potential mechanisms of medicinal plant ingredients? Natural Product Reports. 20: 432-444. PMID 12964838 DOI: 10.1039/B303745B  0.35
2003 Cai CZ, Wang WL, Sun LZ, Chen YZ. Protein function classification via support vector machine approach. Bellman Prize in Mathematical Biosciences. 185: 111-122. PMID 12941532 DOI: 10.1016/S0025-5564(03)00096-8  0.327
2003 Ji ZL, Han LY, Yap CW, Sun LZ, Chen X, Chen YZ. Drug Adverse Reaction Target Database (DART) : proteins related to adverse drug reactions. Drug Safety. 26: 685-90. PMID 12862503 DOI: 10.2165/00002018-200326100-00002  0.358
2003 Sun LZ, Ji ZL, Chen X, Wang JF, Chen YZ. ADME-AP: a database of ADME associated proteins. Bioinformatics (Oxford, England). 18: 1699-700. PMID 12490461 DOI: 10.1093/Bioinformatics/18.12.1699  0.339
2002 Chen X, Ji ZL, Zhi DG, Chen YZ. CLiBE: a database of computed ligand binding energy for ligand-receptor complexes. Computers & Chemistry. 26: 661-6. PMID 12385480 DOI: 10.1016/S0097-8485(02)00050-5  0.301
2002 Chen YZ, Ung CY. Computer Automated Prediction of Potential Therapeutic and Toxicity Protein Targets of Bioactive Compounds from Chinese Medicinal Plants The American Journal of Chinese Medicine. 30: 139-154. PMID 12067089 DOI: 10.1142/S0192415X02000156  0.336
2002 Chen X, Ji ZL, Chen YZ. TTD: Therapeutic Target Database. Nucleic Acids Research. 30: 412-5. PMID 11752352 DOI: 10.1093/Nar/30.1.412  0.345
2002 Chen Y, Li Z, Ung CY. Computational Method for Drug Target Search and Application in Drug Discovery Journal of Theoretical and Computational Chemistry. 1: 213-224. DOI: 10.1142/S0219633602000166  0.383
2001 Chen YZ, Ung CY. Prediction of potential toxicity and side effect protein targets of a small molecule by a ligand-protein inverse docking approach. Journal of Molecular Graphics & Modelling. 20: 199-218. PMID 11766046 DOI: 10.1016/S1093-3263(01)00109-7  0.394
2001 Chen YZ, Zhi DG. Ligand-protein inverse docking and its potential use in the computer search of protein targets of a small molecule. Proteins. 43: 217-226. PMID 11276090 DOI: 10.1002/1097-0134(20010501)43:2<217::Aid-Prot1032>3.0.Co;2-G  0.354
1997 Chen YZ, Zhang Y, Prohofsky EW. Binding stability of a cross-linked drug: Calculation of an anticancer drug cisplatin-DNA complex Physical Review E. 55: 5843-5848. DOI: 10.1103/Physreve.55.5843  0.306
1996 Chen YZ, Prohofsky EW. Melting profile and temperature dependent binding constant of an anticancer drug daunomycin-DNA complex. European Biophysics Journal : Ebj. 24: 203-12. PMID 8665836 DOI: 10.1007/Bf00205101  0.305
1994 Chen YZ, Prohofsky EW. Premelting base pair opening probability and drug binding constant of a daunomycin-poly d(GCAT).poly d(ATGC) complex. Biophysical Journal. 66: 820-6. PMID 8011914 DOI: 10.1016/S0006-3495(94)80858-6  0.322
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