Search Result "kernel PLS"


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

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

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

Research Article

Partial Purification of Polyphenol Oxidase (PPO) from Mango Seed Kernel(MSK) Using Alcohol/Salt-Based Aqueous Two-Phase System (ATPS)

Journal: Current Biotechnology
Volume: 10 Issue: 2 Year: 2021 Page: 88-100
Author(s): John Leanard M. Lasquite,Brendaline C. Enopia,Roger Francis E. Senangote,Danilo C. Sabarre, Jr.,Camila Flor J. Yagonia-Lobarbio

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

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

Multivariate Analysis in Metabolomics

Journal: Current Metabolomics
Volume: 1 Issue: 1 Year: 2013 Page: 92-107
Author(s): Bradley Worley,Robert Powers

Application of Multivariate Linear and Nonlinear Calibration and Classification Methods in Drug Design

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 8 Year: 2015 Page: 795-808
Author(s): Azizeh Abdolmaleki,Jahan B. Ghasemi,Fereshteh Shiri,Somayeh Pirhadi

Research Article

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,Črtomir Podlipnik,Aziz Aboulmouhajir

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