Overview of the perspectives devoted to tautomerism in molecular design - PubMed
Editorial
. 2010 Jun;24(6-7):473-4.
doi: 10.1007/s10822-010-9357-1. Epub 2010 Apr 29.
Affiliations
- PMID: 20428926
- DOI: 10.1007/s10822-010-9357-1
Editorial
Overview of the perspectives devoted to tautomerism in molecular design
Yvonne Connolly Martin. J Comput Aided Mol Des. 2010 Jun.
Abstract
This communication summarizes the important points made in each contribution. They show that there remain issues in the cheminformatic handling of tautomers and predicting the relative energies of various tautomers.
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