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WIREs Comput Mol Sci
Impact Factor: 8.127

Algorithms for Chemoinformatics: an Interdisciplinary View

This collection of articles provides an introduction to many of the algorithmic techniques that underlie chemoinformatic approaches to the analysis of chemical data. The articles have been selected from Wiley Interdisciplinary Reviews in Computational Molecular Science, Computational Statistics, and Data Mining and Knowledge Management, and include descriptions of techniques for cluster analysis, graph matching, machine learning, optimization and vizualisation inter alia.

Maximum common subgraph isomorphism algorithms and their applications in molecular science: a review
Advanced Review
WIREs Computational Molecular Science
Published Online: Jan 21 2011
DOI: 10.1002/wcms.5
Abstract Full article on Wiley Online Library:   HTML | PDF
Diversity selection algorithms
Advanced Review
WIREs Computational Molecular Science
Published Online: Apr 14 2011
DOI: 10.1002/wcms.33
Abstract Full article on Wiley Online Library:   HTML | PDF
Algorithms for chemoinformatics
Overview
WIREs Computational Molecular Science
Published Online: Apr 14 2011
DOI: 10.1002/wcms.42
Abstract Full article on Wiley Online Library:   HTML | PDF
Global optimization
Advanced Review
WIREs Computational Molecular Science
Published Online: May 12 2011
DOI: 10.1002/wcms.70
Abstract Full article on Wiley Online Library:   HTML | PDF
Algorithms for hierarchical clustering: an overview
Overview
WIREs Data Mining and Knowledge Discovery
Published Online: Dec 07 2011
DOI: 10.1002/widm.53
Abstract Full article on Wiley Online Library:   HTML | PDF
Partitive clustering (K‐means family)
Overview
WIREs Data Mining and Knowledge Discovery
Published Online: Mar 23 2012
DOI: 10.1002/widm.1049
Abstract Full article on Wiley Online Library:   HTML | PDF
Recursive partitioning
Focus Article
WIREs Computational Statistics
Published Online: Dec 01 2009
DOI: 10.1002/wics.44
Abstract Full article on Wiley Online Library:   HTML | PDF
Support vector machines
Advanced Review
WIREs Computational Statistics
Published Online: Dec 01 2009
DOI: 10.1002/wics.49
Abstract Full article on Wiley Online Library:   HTML | PDF
Neural networks
Advanced Review
WIREs Computational Statistics
Published Online: Jan 19 2010
DOI: 10.1002/wics.50
Abstract Full article on Wiley Online Library:   HTML | PDF

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