Validation of Structural Proposals by Substructure Analysis and 13C NMR Chemical Shift Prediction-Reference-Cited by-同舟云学术

Validation of Structural Proposals by Substructure Analysis and 13C NMR Chemical Shift Prediction

Published:2002-03-01 Issue:2 Volume:42 Page:241-248
ISSN:0095-2338
Container-title:Journal of Chemical Information and Computer Sciences
language:en
Short-container-title:J. Chem. Inf. Comput. Sci.

Author:

Meiler Jens¹,Sanli Erdogan¹,Junker Jochen¹,Meusinger Reinhard¹,Lindel Thomas¹,Will Martin¹,Maier Walter¹,Köck Matthias¹

Affiliation:

1. Alfred-Wegener-Institut für Polar- und Meeresforschung, Am Handelshafen 12, D-27570 Bremerhaven, Germany, Institut für Organische Chemie, J. W. Goethe-Universität Frankfurt, Marie-Curie-Strasse 11, D-60439 Frankfurt, Germany, Institut für Organische Chemie, Universität Mainz, D-55099 Mainz, Germany, Department Chemie, Universität München, Butenandtstrasse 5-13, D-81377 München, Germany, and BASF AG, D-67056 Ludwigshafen, 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/ci010294n

Reference51 articles.

1. Fast Determination of 13C NMR Chemical Shifts Using Artificial Neural Networks

2. Applications of High-Resolution Self-Organizing Maps to Retrosynthetic and QSAR Analysis

3. Classification and Clustering: Using Neural Networks

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