Quantum Mechanical Energy-Based Screening of Combinatorially Generated Library of Tautomers. TauTGen: A Tautomer Generator Program

Maciej Haranczyk, Maciej Gutowski. Quantum Mechanical Energy-Based Screening of Combinatorially Generated Library of Tautomers. TauTGen: A Tautomer Generator Program. Journal of Chemical Information and Computer Sciences, 47(2):686-694, 2007. [doi]

Abstract

Abstract is missing.