Exploring Topological Pharmacophore Graphs for Scaffold Hopping-Reference-Cited by-同舟云学术

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Exploring Topological Pharmacophore Graphs for Scaffold Hopping

Published:2020-03-23 Issue:4 Volume:60 Page:2073-2081
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Nakano Hiroshi¹,Miyao Tomoyuki¹²^ORCID,Funatsu Kimito¹²³^ORCID

Affiliation:

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

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

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

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.0c00098

Reference38 articles.

1. Scaffold-Hopping: How Far Can You Jump?

2. Scaffold hopping

3. “Scaffold-Hopping” by Topological Pharmacophore Search: A Contribution to Virtual Screening

4. Recent Advances in Scaffold Hopping

5. New Allosteric Modulators of Metabotropic Glutamate Receptor 5 (mGluR5) Found by Ligand-Based Virtual Screening

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1. Scaffold-Hopped Compound Identification by Ligand-Based Approaches with a Prospective Affinity Test;Journal of Chemical Information and Modeling;2024-07-01

2. A pharmacophore-guided deep learning approach for bioactive molecular generation;Nature Communications;2023-10-06

3. Exploring isofunctional molecules: Design of a benchmark and evaluation of prediction performance;Molecular Informatics;2023-02-17

4. Computational methods for scaffold hopping;Privileged Scaffolds in Drug Discovery;2023

5. Marine Natural Products in Clinical Use;Marine Drugs;2022-08-18

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