Improved Chemical Structure–Activity Modeling Through Data Augmentation-Reference-Cited by-同舟云学术

Improved Chemical Structure–Activity Modeling Through Data Augmentation

Published:2015-12-11 Issue:12 Volume:55 Page:2682-2692
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Cortes-Ciriano Isidro¹,Bender Andreas²

Affiliation:

1. Département de Biologie Structurale et Chimie, Institut Pasteur, Unité de Bioinformatique Structurale; CNRS UMR 3825, 25, rue du Dr Roux, 75015 Paris, France

2. Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom

Funder

European Research Council

Institut Pasteur

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/acs.jcim.5b00570

Reference50 articles.

1. QSAR Modeling: Where Have You Been? Where Are You Going To?

2. Comparability of Mixed IC50 Data – A Statistical Analysis

3. High-throughput cytotoxicity screening: hit and miss

4. Synthetic Multivariate Models to Accommodate Unmodeled Interfering Spectral Components during Quantitative Spectral Analyses

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