Toward More Reliable 13C and 1H Chemical Shift Prediction: A Systematic Comparison of Neural-Network and Least-Squares Regression Based Approaches-Reference-Cited by-同舟云学术

Toward More Reliable 13C and 1H Chemical Shift Prediction: A Systematic Comparison of Neural-Network and Least-Squares Regression Based Approaches

Published:2007-12-05 Issue:1 Volume:48 Page:128-134
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Smurnyy Yegor D.¹,Blinov Kirill A.¹,Churanova Tatiana S.¹,Elyashberg Mikhail E.¹,Williams Antony J.¹

Affiliation:

1. Advanced Chemistry Development, Moscow Department, 6 Akademik Bakulev Street, Moscow 117513, Russian Federation, and Advanced Chemistry Development, Inc., 110 Yonge Street, 14th Floor, Toronto, Ontario, Canada M5C 1T4

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/ci700256n

Reference30 articles.

1. Structure Elucidator: A Versatile Expert System for Molecular Structure Elucidation from 1D and 2D NMR Data and Molecular Fragments

2. Are Deterministic Expert Systems for Computer-Assisted Structure Elucidation Obsolete?

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