Three-Dimensional Activity Landscape Models of Different Design and Their Application to Compound Mapping and Potency Prediction-Reference-Cited by-同舟云学术

Three-Dimensional Activity Landscape Models of Different Design and Their Application to Compound Mapping and Potency Prediction

Published:2018-11-28 Issue:3 Volume:59 Page:993-1004
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Miyao Tomoyuki¹,Funatsu Kimito¹²^ORCID,Bajorath Jürgen³^ORCID

Affiliation:

1. Data Science Center and Graduate School of Science and Technology, Nara Institute of Science and Technology, 8916-5 Takayama-cho, Ikoma, Nara 630-0192, Japan

2. Department of Chemical System Engineering, School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan

3. 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

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.8b00661

Reference54 articles.

1. Navigating structure–activity landscapes

2. Activity Landscape Representations for Structure−Activity Relationship Analysis

3. Methods for SAR visualization

4. Modeling of activity landscapes for drug discovery

5. Visualization of Activity Landscapes and Chemogenomics Data

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