The Coding of the Three-Dimensional Structure of Molecules by Molecular Transforms and Its Application to Structure-Spectra Correlations and Studies of Biological Activity-Reference-Cited by-同舟云学术

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

Published:1996-01-01 Issue:2 Volume:36 Page:334-344
ISSN:0095-2338
Container-title:Journal of Chemical Information and Computer Sciences
language:en
Short-container-title:J. Chem. Inf. Comput. Sci.

Author:

Schuur Jan H.¹,Selzer Paul¹,Gasteiger Johann¹

Affiliation:

1. Computer-Chemie-Centrum, Institut für Organische Chemie, Universität Erlangen-Nürnberg, Nägelsbachstrasse 25, D-91052 Erlangen, Germany

Publisher

American Chemical Society (ACS)

Subject

Computational Theory and Mathematics,Computer Science Applications,Information Systems,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci950164c

Reference31 articles.

1. Simulation of infrared spectra: an infrared spectral simulation program (SIRS) which uses DARC topological substructures

2. Enumeration and classification of coronoid hydrocarbons. 10. Double coronoids

3. From atoms and bonds to three-dimensional atomic coordinates: automatic model builders

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