The Coding of the Three-Dimensional Structure of Molecules by Molecular Transforms and Its Application to Structure-Spectra Correlations and Studies of Biological Activity

American Chemical Society (ACS) - Tập 36 Số 2 - Trang 334-344 - 1996
Jan Schuur1, Paul M. Selzer1, Johann Gasteiger1
1Computer-Chemie-Centrum, Institut für Organische Chemie, Universität Erlangen-Nürnberg, Nägelsbachstrasse 25, D-91052 Erlangen, Germany

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