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Electrostatic potential maps of flavone acetic acids: A new class of antitumor drugs
Author(s) -
Thomson Colin,
Higgins Derek
Publication year - 1988
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560340870
Subject(s) - acetic acid , chemistry , computational chemistry , class (philosophy) , electrostatics , combinatorial chemistry , stereochemistry , organic chemistry , computer science , artificial intelligence
Complete geometry optimizations have been carried out with the AM1 method on flavone acetic acid and several of its derivatives. Molecular electrostatic potential maps have been used to predict new com.