Overview of the perspectives devoted to tautomerism in molecular design.
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.
Martin
Yvonne Connolly
YC
Martin Consulting, Waukegan, IL, USA. yvonnecmartin@comcast.net
D003198:Computer Simulation; D015195:Drug Design; D007536:Isomerism; D015394:Molecular Structure; D004364:Pharmaceutical Preparations / Q000737:chemistry*; D011789:Quantum Theory; D013816:Thermodynamics
D004364:Pharmaceutical Preparations