G-RMSD: Root Mean Square Deviation Based Method for Three-Dimensional Molecular Similarity Determination-Reference-Cited by-同舟云学术

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G-RMSD: Root Mean Square Deviation Based Method for Three-Dimensional Molecular Similarity Determination

Published:2021-02-15 Issue:2 Volume:94 Page:655-665
ISSN:0009-2673
Container-title:Bulletin of the Chemical Society of Japan
language:en
Short-container-title:BCSJ

Author:

Fukutani Tomonori¹,Miyazawa Kohei¹,Iwata Satoru¹,Satoh Hiroko²³

Affiliation:

1. Department of Mathematical Informatics, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8654, Japan

2. Department of Chemistry, University of Zurich, Winterthurerstrasse 190, 8057 Zurich, Switzerland

3. Research Organization of Information and Systems (ROIS), 4-3-13 Toranomon, Minato-ku, Tokyo 105-0001, Japan

Publisher

The Chemical Society of Japan

Subject

General Chemistry

Link

http://www.journal.csj.jp/doi/pdf/10.1246/bcsj.20200258

Reference78 articles.

1. R. Todeschini, V. Consonni, “Handbook of Molecular Descriptors”, Wiley-VCH, Weinheim, 2000, 395–403.

2. T. Engel, “Chemoinformatics, A Textbook”, edited by J. Gasteiger and T. Engel, Wiley-VCH, Weinheim, 2003, 15–168.

3. N. Kochev, V. Monev, I. Bangov, “Chemoinformatics, A Textbook”, edited by J. Gasteiger and T. Engel, Wiley-VCH, Weinheim, 2003, 291–318.

4. Similarity‐based data mining in files of two‐dimensional chemical structures using fingerprint measures of molecular resemblance

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