Search Result "kernel-based partial least squares regression"


QSAR Study On 5-Lipoxygenase Inhibitors Based on Support Vector Machine

Journal: Medicinal Chemistry
Volume: 8 Issue: 6 Year: 2012 Page: 1108-1116
Author(s): Bing Niu, Qiang Su, Xiaochen Yuan, Wencong Lu, Juan Ding

Applying Chemometrics Approaches to Model and Predict the Binding Affinities Between the Human Amphiphysin SH3 Domain and Its Peptide Ligands (Suplementary Material)

Journal: Protein & Peptide Letters
Volume: 17 Issue: 2 Year: 2010 Page: 246-253
Author(s): Lijun Liu, Deyong He, Shaoming Yang, Yaping Xu

Evaluation of Mutual Information, Genetic Algorithm and SVR for Feature Selection in QSAR Regression

Journal: Current Drug Discovery Technologies
Volume: 8 Issue: 2 Year: 2011 Page: 107-111
Author(s): Jianwen Fang, David Tai

Hyperspectral Imaging and Machine Learning for Rapid Assessment of Deoxynivalenol of Barley Kernels

Ebook: Nondestructive Evaluation of Agro-products by Intelligent Sensing Techniques
Volume: 1 Year: 2021
Author(s): Wen-Hao Su,Ce Yang,Yanhong Dong,Ryan Johnson,Rae Page,Tamas Szinyei,Cory D. Hirsch,Brian J. Steffenson
Doi: 10.2174/9789811485800121010007

Machine Learning Quantitative Structure-Activity Relationships (QSAR) for Peptides Binding to the Human Amphiphysin-1 SH3 Domain

Journal: Current Proteomics
Volume: 6 Issue: 4 Year: 2009 Page: 289-302
Author(s): Ovidiu Ivanciuc

Quantitative Structure-activity Relationships of Imidazole-containing Farnesyltransferase Inhibitors Using Different Chemometric Methods

Journal: Medicinal Chemistry
Volume: 9 Issue: 3 Year: 2013 Page: 434-448
Author(s): Ali Shayanfar,Saeed Ghasemi,Somaieh Soltani,Karim Asadpour-Zeynali,Robert J. Doerksen,Abolghasem Jouyban

Using Machine Learning Methods to Predict Experimental High Throughput Screening Data

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 13 Issue: 5 Year: 2010 Page: 430-441
Author(s): Cherif Mballo, Vladimir Makarenkov

Advanced PLS Techniques in Chemoinformatics Studies

Journal: Current Computer-Aided Drug Design
Volume: 6 Issue: 2 Year: 2010 Page: 103-127
Author(s): Kiyoshi Hasegawa, Kimito Funatsu

Computer Prediction of Cardiovascular and Hematological Agents by Statistical Learning Methods

Journal: Cardiovascular & Hematological Agents in Medicinal Chemistry
Volume: 5 Issue: 1 Year: 2007 Page: 11-19
Author(s): X. Chen, H. Li, C. W. Yap, C. Y. Ung, L. Jiang, Z. W. Cao, Y. X. Li, Y. Z. Chen

Research Article

Quantitative Structure-activity Relationship of Acetylcholinesterase Inhibitors based on mRMR Combined with Support Vector Regression

Journal: Letters in Organic Chemistry
Volume: 16 Issue: 4 Year: 2019 Page: 311-316
Author(s): Jiaxiang Wu,Guozhao Mai,Bowen Deng,Jeong Younseo,Dongsu Du,Fuxue Chen,Qiaorong Ma

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