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- 﨑山 博史
- 山形大学理学部理学科,〒990-8560山形市小白川町1-4-12
書誌事項
- タイトル別名
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- Timesaving for Conformational Analysis by Machine Learning
抄録
<p>In the conformational analysis of [Mg(dmso)6]2+ complex cation (dmso: dimethylsulfoxide), 130 candidates of the conformers were successfully narrowed down to 26 conformers by machine learning. As a result, the time required for the structural optimization turned out to be reduced to 1/8, and the machine learning was found to be effective in timesaving for conformational analysis.</p>
収録刊行物
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- Journal of Computer Chemistry, Japan
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Journal of Computer Chemistry, Japan 18 (3), 150-151, 2019
日本コンピュータ化学会
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キーワード
詳細情報 詳細情報について
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- CRID
- 1390001277398286080
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- NII論文ID
- 130007752619
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- ISSN
- 13473824
- 13471767
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- 本文言語コード
- ja
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- データソース種別
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- JaLC
- Crossref
- CiNii Articles
- KAKEN
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- 抄録ライセンスフラグ
- 使用不可