Search Result "kernel-PLS"
Characterization of Shea Butter Using a Combination of MALDI-TOFMS, SPME-GC-MS and Multivariate Data Analysis
Journal: Current Bioactive Compounds
Volume: 11 Issue: 1 Year: 2015 Page: 3-12
Author(s): Gerald Stübiger,Wolfgang Werther,Sabine Krist
Fingerprint-based 2D-QSAR Models for Predicting Bcl-2 Inhibitors Affinity
Journal: Letters in Drug Design & Discovery
Volume: 17 Issue: 10 Year: 2020 Page: 1206-1215
Author(s): Said Byadi,Hachim Mouhi Eddine,Karima Sadik,Ärtomir Podlipnik,Aziz Aboulmouhajir
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
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
5-Year Trends in QSAR and its Machine Learning Methods
Journal: Current Computer-Aided Drug Design
Volume: 12 Issue: 4 Year: 2016 Page: 265-271
Author(s): Oleg T. Devinyak, Roman B. Lesyk
Machine Learning for In Silico Virtual Screening and Chemical Genomics: New Strategies
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 11 Issue: 8 Year: 2008 Page: 677-685
Author(s): Jean-Philippe Vert, Laurent Jacob
Development of a Web-Enabled SVR-Based Machine Learning Platform and its Application on Modeling Transgene Expression Activity of Aminoglycoside-Derived Polycations
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 20 Issue: 1 Year: 2017 Page: 41-55
Author(s): Zhuo Zhen,Thrimoorthy Potta,Nicholas A. Lanzillo,Kaushal Rege,Curt M. Breneman
Tuning hERG Out: Antitarget QSAR Models for Drug Development
Journal: Current Topics in Medicinal Chemistry
Volume: 14 Issue: 11 Year: 2014 Page: 1399-1415
Author(s): Rodolpho C. Braga,Vinicius M. Alves,Meryck F.B. Silva,Eugene Muratov,Denis Fourches,Alexander Tropsha,Carolina H. Andrade
Performance of Machine Learning Methods for Ligand-Based Virtual Screening
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 12 Issue: 4 Year: 2009 Page: 358-368
Author(s): Dariusz Plewczynski, Stephane A.H. Spieser, Uwe Koch
Machine Learning in Virtual Screening
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 12 Issue: 4 Year: 2009 Page: 332-343
Author(s): James L. Melville, Edmund K. Burke, Jonathan D. Hirst