Evolving Interpretable Structure−Activity Relationships. 1. Reduced Graph Queries-Reference-Cited by-同舟云学术

Evolving Interpretable Structure−Activity Relationships. 1. Reduced Graph Queries

Published:2008-07-17 Issue:8 Volume:48 Page:1543-1557
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Birchall Kristian¹,Gillet Valerie J.¹,Harper Gavin¹,Pickett Stephen D.¹

Affiliation:

1. Department of Information Studies, University of Sheffield, Regent Court, 211 Portobello Street, Sheffield S1 4DP, United Kingdom, and GlaxoSmithKline, Medicines Research Centre, Gunnels Wood Road, Stevenage SG1 2NY, United Kingdom

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/ci8000502

Reference38 articles.

1. Methods for mining HTS data

2. Lead Hopping Using SVM and 3D Pharmacophore Fingerprints

3. Using Extended-Connectivity Fingerprints with Laplacian-Modified Bayesian Analysis in High-Throughput Screening Follow-Up

4. Virtual Screening Using Binary Kernel Discrimination: Effect of Noisy Training Data and the Optimization of Performance

5. Enrichment of High-Throughput Screening Data with Increasing Levels of Noise Using Support Vector Machines, Recursive Partitioning, and Laplacian-Modified Naive Bayesian Classifiers

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