Molecular chemometrics

E. L. Willighagen, R. Wehrens, L. M. C. Buydens*

*Corresponding author for this work

Research output: Contribution to journalReview articlepeer-review

Original languageEnglish
Pages (from-to)189-198
Number of pages10
JournalCritical Reviews in Analytical Chemistry
Volume36
Issue number3-4
DOIs
Publication statusPublished - 2006
Externally publishedYes

Keywords

  • chemometrics
  • chemoinformatics
  • molecular representation
  • SUPPORT VECTOR MACHINES
  • WORLD-WIDE-WEB
  • VARIABLE SELECTION
  • CHEMICAL MARKUP
  • OPTIMIZATION ALGORITHM
  • ORGANIC-REACTIONS
  • 4D-QSAR ANALYSIS
  • FIELD ANALYSIS
  • DRUG DESIGN
  • QSAR

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