Beyond the Scope of Free-Wilson Analysis. 2: Can Distance Encoded R-Group Fingerprints Provide Interpretable Nonlinear Models?-Reference-Cited by-同舟云学术

Beyond the Scope of Free-Wilson Analysis. 2: Can Distance Encoded R-Group Fingerprints Provide Interpretable Nonlinear Models?

Published:2014-04-11 Issue:4 Volume:54 Page:1117-1128
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Eriksson Mats¹²,Chen Hongming¹²,Carlsson Lars¹²,Nissink J. Willem M.¹²,Cumming John G.¹²,Nilsson Ingemar¹²

Affiliation:

1. Chemistry Innovation Center, Discovery Sciences, ‡CVMD Innovative Medicines and §Computational Toxicology, Global Safety Assessment, AstraZeneca R&D, Mölndal 431 83, Sweden

2. Oncology Innovative Medicines and ⊥Chemistry Innovation Center, Discovery Sciences, AstraZeneca R&D, Alderley Park, Macclesfield SK10 4TG, U.K.

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/ci500075q

Reference41 articles.

1. Chemical predictive modelling to improve compound quality

2. 4D-Fingerprints, Universal QSAR and QSPR Descriptors

3. The Collinearity Problem in Linear Regression. The Partial Least Squares (PLS) Approach to Generalized Inverses

4. Boosting: An Ensemble Learning Tool for Compound Classification and QSAR Modeling

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