Systematic Extraction of Analogue Series from Large Compound Collections Using a New Computational Compound–Core Relationship Method-Reference-Cited by-同舟云学术

Systematic Extraction of Analogue Series from Large Compound Collections Using a New Computational Compound–Core Relationship Method

Published:2019-01-14 Issue:1 Volume:4 Page:1027-1032
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Naveja J. Jesús¹,Vogt Martin¹,Stumpfe Dagmar¹,Medina-Franco José L.,Bajorath Jürgen¹^ORCID

Affiliation:

1. Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Endenicher Allee 19c, D-53115 Bonn, Germany

Funder

Deutscher Akademischer Austauschdienst

Consejo Nacional de Ciencia y Tecnolog?a

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acsomega.8b03390

Reference15 articles.

1. SAR Maps: A New SAR Visualization Technique for Medicinal Chemists

2. AnalogExplorer: A New Method for Graphical Analysis of Analog Series and Associated Structure–Activity Relationship Information

3. Quantifying, Visualizing, and Monitoring Lead Optimization

4. Monitoring the Progression of Structure–Activity Relationship Information during Lead Optimization

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