PubChemQC PM6: Data Sets of 221 Million Molecules with Optimized Molecular Geometries and Electronic Properties-Reference-Cited by-同舟云学术

PubChemQC PM6: Data Sets of 221 Million Molecules with Optimized Molecular Geometries and Electronic Properties

Published:2020-10-26 Issue:12 Volume:60 Page:5891-5899
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Nakata Maho¹^ORCID,Shimazaki Tomomi²^ORCID,Hashimoto Masatomo³^ORCID,Maeda Toshiyuki³^ORCID

Affiliation:

1. RIKEN Cluster for Pioneering Research, 2-1 Hirosawa, Wako-City, Saitama 351-0198, Japan

2. Graduate School of System Informatics, Kobe University, 1-1 Rokkodai-cho, Nada-ku, Kobe, Hyogo 657-8501, JAPAN

3. Software Technology and Artificial Intelligence Research Laboratory, Chiba Institute of Technology, 2-17-1 Tsudanuma, Narashino, Chiba 275-0016, Japan

Funder

Japan Society for the Promotion of Science

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.0c00740

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5. Silverman, R. B.; Silverman, R. B.; Holladay, M. W. In the Organic Chemistry of Drug Design and Drug Action, third ed. Silverman, R. B., Holladay, M. W., Eds. Academic Press: Boston, 2014; p v.

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