Molecular Chemometrics
- 1 December 2006
- journal article
- research article
- Published by Taylor & Francis in Critical Reviews in Analytical Chemistry
- Vol. 36 (3-4) , 189-198
Abstract
This paper reviews literature from the past 5 years in the field of molecular chemometrics, which applies modeling and data analysis to molecular data. It discusses advances and standing challenges in the fields of molecular representation, similarity and diversity analysis, quantitative structure-activity and structure-property relationship modeling, and library searching.Keywords
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