Computational method for estimating progression saturation of analog series-Reference-Cited by-同舟云学术

Computational method for estimating progression saturation of analog series

Published:2018 Issue:10 Volume:8 Page:5484-5492
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Kunimoto Ryo¹²³⁴⁵,Miyao Tomoyuki¹²³⁴⁵,Bajorath Jürgen¹²³⁴⁵^ORCID

Affiliation:

1. Department of Life Science Informatics

2. B-IT

3. LIMES Program Unit Chemical Biology and Medicinal Chemistry

4. Rheinische Friedrich-Wilhelms-Universität

5. D-53113 Bonn

Abstract

Chemical space view of an analog series. Shown are inactive (red) and active (blue) analogs together with virtual candidate compounds (green) available to expand the series. Chemical neighborhoods of analogs are depicted in gray.

Funder

Japan Society for the Promotion of Science

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2018/RA/C7RA13748F

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