Kernel k-nearest neighbor algorithm as a flexible SAR modeling tool-Reference-Cited by-同舟云学术

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Kernel k-nearest neighbor algorithm as a flexible SAR modeling tool

Published:2012-05 Issue: Volume:114 Page:19-23
ISSN:0169-7439
Container-title:Chemometrics and Intelligent Laboratory Systems
language:en
Short-container-title:Chemometrics and Intelligent Laboratory Systems

Author:

Cao Dong-Sheng,Huang Jian-Hua,Yan Jun,Zhang Liang-Xiao,Hu Qian-Nan,Xu Qing-Song,Liang Yi-Zeng

Funder

National Nature Foundation Committee of P.R. China

Ministry of Science and Technology of China

Central South University

Publisher

Elsevier BV

Subject

Spectroscopy,Process Chemistry and Technology,Computer Science Applications,Software,Analytical Chemistry

Reference21 articles.

1. ADMET in silico modelling: towards prediction paradise?;van de Waterbeemd;Nature Reviews. Drug Discovery,2003

2. A naive Bayes classifier for prediction of multidrug resistance reversal activity on the basis of atom typing;Sun;Journal of Medicinal Chemistry,2005

3. Classification of substrates and inhibitors of P-glycoprotein using unsupervised machine learning approach;Wang;Journal of Chemical Information and Modeling,2005

4. ADMET property prediction: the state of the art and current challenges;Gola;QSAR and Combinatorial Science,2006

5. Prediction of ADMET properties;Norinder;ChemMedChem,2006

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