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教授 博士生导师 硕士生导师
所在单位:
湘雅药学院
职务:
院长
办公地点:
长沙市岳麓区桐梓坡路172号湘雅医学院后栋449
联系方式:
oriental-cds@163.com
主要任职:
人工智能药学交叉研究中心主任
学科:
药学
化学
计算机科学与技术
论文成果
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论文成果
[121]Computational Prediction of Drug?Target Interactions Using Chemical, Biological, and Network Features[J].Molecular informatics, 2014, 33 (10) : 669-681.
[122]protr: Protein Sequence-Derived Structural and Physiochemical Descriptors Calculation with R[J], 2014
[123]Toolkit for Compound-Protein Interaction in Drug Discovery[J], 2014
[124]A network pharmacology approach to understanding the mechanisms of action of traditional medicine: Bushenhuoxue formula for treatment of chronic kidney disease[J].PLoS One, 2014, 9 (3) : e89123.
[125]QSAR analysis of the effects of OATP1B1 transporter by structurally diverse natural products using a particle swarm optimization-combined multiple linear regression approach[J].Chemometrics and Intelligent Laboratory Systems, 2014
[126]A simple idea on applying large regression coefficient to improve the genetic algorithm-PLS for variable selection in multivariate calibration[J].Chemometrics and Intelligent Laboratory Systems, 2014, 130 (76-83)
[127]A strategy that iteratively retains informative variables for selecting optimal variable subset in multivariate calibration[J].Analytica chimica acta, 2014, 807: 36-43.
[128]ChemDes: a free web-based tool for computing molecular descriptors[J].第十二届全国青年药学工作者最新科研成果交流会论文集, 2014
[129]Kernel k-nearest neighbor classifier based on decision tree ensemble for SAR modeling analysis[J].Analytical Methods, 2014, 6 (17) : 6621-6627.
[130]PyDPI: freely available python package for chemoinformatics, bioinformatics, and chemogenomics studies[J].Journal of chemical information and modeling, 2013, 53 (11) : 3086-3096.
[131]Pressor mechanism evaluation for phytochemical compounds using in silico compound–protein interaction prediction[J].Regulatory Toxicology and Pharmacology, 2013, 67 (1) : 115-124.
[132]Interpretation of type 2 diabetes mellitus relevant GC-MS metabolomics fingerprints by using random forests[J].Analytical Methods, 2013, 5 (18) : 4883-4889.
[133]Large-scale prediction of human kinase–inhibitor interactions using protein sequences and molecular topological structures[J].Analytica chimica acta, 2013, 792: 10-18.
[134]An efficient method of wavelength interval selection based on random frog for multivariate spectral calibration[J].Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2013, 111: 31-6.
[135]An efficient method of wavelength interval selection based on random frog for multivariate spectral calibration[J].Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2013, 111: 31-36.
[136]Exploring the relationship between 5′ AMP-activated protein kinase and markers related to type 2 diabetes mellitus[J].Talanta, 2013, 110: 1-7.
[137]Strategies for structure elucidation of small molecules using gas chromatography-mass spectrometric data[J].TrAC Trends in Analytical Chemistry, 2013, 47: 37-46.
[138]ChemoPy: freely available python package for computational biology and chemoinformatics[J].Bioinformatics, 2013, 29 (8) : 1092-1094.
[139]Genome-Scale Screening of Drug-Target Associations Relevant to Ki Using a Chemogenomics Approach[J].PloS one, 2013, 8 (4) : e57680.
[140]propy: a tool to generate various modes of Chou's PseAAC[J].Bioinformatics, 2013, 29 (7) : 960-2.
共180条 7/9
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