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PubChemQC PM6: Data Sets of 221 Million Molecules with Optimized Molecular Geometries and Electronic Properties.
Nakata, Maho; Shimazaki, Tomomi; Hashimoto, Masatomo; Maeda, Toshiyuki.
Afiliação
  • Nakata M; RIKEN Cluster for Pioneering Research, 2-1 Hirosawa, Wako-City, Saitama 351-0198, Japan.
  • Shimazaki T; Graduate School of System Informatics, Kobe University, 1-1 Rokkodai-cho, Nada-ku, Kobe, Hyogo 657-8501, JAPAN.
  • Hashimoto M; Software Technology and Artificial Intelligence Research Laboratory, Chiba Institute of Technology, 2-17-1 Tsudanuma, Narashino, Chiba 275-0016, Japan.
  • Maeda T; Software Technology and Artificial Intelligence Research Laboratory, Chiba Institute of Technology, 2-17-1 Tsudanuma, Narashino, Chiba 275-0016, Japan.
J Chem Inf Model ; 60(12): 5891-5899, 2020 12 28.
Article em En | MEDLINE | ID: mdl-33104339
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Eletrônica Idioma: En Ano de publicação: 2020 Tipo de documento: Article
Texto completo
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XML
PubMed Links
Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Eletrônica Idioma: En Ano de publicação: 2020 Tipo de documento: Article