Methods for tautomer enumeration, -searching and -duplicate filtering - Szabolcs Csepregi ( ...
enumerated structures based on pKa and other criteria (dominant tautomers) or canonicalizes using empirical rules (canonical tautomer). The ...
Methods for tautomer enumeration, search and duplicate filtering - Szabolcs Csepregi (ChemAxon)
enumerated structures based on pKa and other criteria (dominant tautomers) or canonicalizes using empirical rules (canonical tautomer). The ...