Performance Validation of Neural Network Based 13C NMR Prediction Using a Publicly Available Data Source-Reference-Cited by-同舟云学术

Performance Validation of Neural Network Based 13C NMR Prediction Using a Publicly Available Data Source

Published:2008-02-23 Issue:3 Volume:48 Page:550-555
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Blinov K. A.¹,Smurnyy Y. D.¹,Elyashberg M. E.¹,Churanova T. S.¹,Kvasha M.¹,Steinbeck C.¹,Lefebvre B. A.¹,Williams A. J.¹

Affiliation:

1. Advanced Chemistry Development, Moscow Department, 6 Akademik Bakulev Street, Moscow 117513, Russian Federation, Advanced Chemistry Development, Inc., 110 Yonge Street, 14th floor, Toronto, Ontario, Canada M5C 1T4, Steinbeck Molecular Informatics, Franz-John-Strasse 10, 77855 Achern, Germany, and ChemZoo Inc., 904 Tamaras Circle, Wake Forest, North Carolina 27587

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci700363r

Reference30 articles.

1. Nuclear Magnetic Resonance Studies of Hydrogen Bonding. II. Calculation of the Shift upon Complex Formation

2. A computer program for the prediction of 13-C-NMR chemical shifts of organic compounds

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