Improvement of the Structure Generator DAECS with Respect to Structural Diversity-Reference-Cited by-同舟云学术

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Improvement of the Structure Generator DAECS with Respect to Structural Diversity

Published:2020-11-25 Issue:4 Volume:40 Page:2000225
ISSN:1868-1743
Container-title:Molecular Informatics
language:en
Short-container-title:Mol. Inf.

Author:

Inoue Takahiro¹^ORCID,Tanaka Kenichi¹,Kotera Masaaki¹,Funatsu Kimito¹

Affiliation:

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

Publisher

Wiley

Subject

Organic Chemistry,Computer Science Applications,Drug Discovery,Molecular Medicine,Structural Biology

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/minf.202000225

Reference30 articles.

1. The quest for novel chemical matter and the contribution of computer-aidedde novodesign

2. Principles of the Generation of Constitutional and Configurational Isomers

3. Virtual Exploration of the Chemical Universe up to 11 Atoms of C, N, O, F: Assembly of 26.4 Million Structures (110.9 Million Stereoisomers) and Analysis for New Ring Systems, Stereochemistry, Physicochemical Properties, Compound Classes, and Drug Discovery

4. Ring system-based chemical graph generation for de novo molecular design

5. LigBuilder 2: A Practical de Novo Drug Design Approach

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1. Scaffold-Retained Structure Generator to Exhaustively Create Molecules in an Arbitrary Chemical Space;Journal of Chemical Information and Modeling;2022-02-21

2. Comparisons of Molecular Structure Generation Methods Based on Fragment Assemblies and Genetic Graphs;Journal of Chemical Information and Modeling;2021-08-18

3. Estimation of Mercury Losses and Gold Production by Artisanal and Small-Scale Gold Mining (ASGM);Journal of Sustainable Metallurgy;2021-07-07

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