Modeling of Compound Profiling Experiments Using Support Vector Machines-Reference-Cited by-同舟云学术

Modeling of Compound Profiling Experiments Using Support Vector Machines

Published:2014-03-13 Issue:1 Volume:84 Page:75-85
ISSN:1747-0277
Container-title:Chemical Biology & Drug Design
language:en
Short-container-title:Chem Biol Drug Des

Author:

Balfer Jenny¹,Heikamp Kathrin¹,Laufer Stefan²,Bajorath Jürgen¹

Affiliation:

1. Department of Life Science Informatics; B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry; Rheinische Friedrich-Wilhelms-Universität; Dahlmannstr. 2 D-53113 Bonn Germany

2. Department of Pharmacy and Biochemistry, Pharmaceutical/Medicinal Chemistry; Eberhard-Karls-Universität Tübingen; Auf der Morgenstelle 8 D-72076 Tübingen Germany

Publisher

Wiley

Subject

Molecular Medicine,Biochemistry,Drug Discovery,Pharmacology,Organic Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1111/cbdd.12294/fullpdf

Reference35 articles.

1. A small molecule-kinase interaction map for clinical kinase inhibitors;Fabian;Nat Biotechnol,2005

2. Strategies to discover unexpected targets for drugs active at G protein-coupled receptors;Allen;Annu Rev Pharmacol Toxicol,2011

3. Functional selectivity in GPCR modulator screening;Kenakin;Comb Chem High Throughput Screen,2008

4. Transformation of in vitro tools for kinase profiling: keeping an eye over the off-target liabilities;Bi;Expert Opin Drug Discov,2011

5. High-throughput kinase profiling as a platform for drug discovery;Goldstein;Nat Rev Drug Discov,2008

Cited by 6 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Evolution of Support Vector Machine and Regression Modeling in Chemoinformatics and Drug Discovery;Journal of Computer-Aided Molecular Design;2022-03-19

2. QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping;Journal of Cheminformatics;2020-05-29

3. In Silico Drug–Target Profiling;Target Identification and Validation in Drug Discovery;2019

4. Molecular Modeling on Berberine Derivatives toward BuChE: An Integrated Study with Quantitative Structure-Activity Relationships Models, Molecular Docking, and Molecular Dynamics Simulations;Chemical Biology & Drug Design;2016-01-11

5. Investigating Recurrent Neural Networks for Feature-Less Computational Drug Design;Artificial Neural Networks and Machine Learning – ICANN 2016;2016