Art
J-GLOBAL ID：201702223749394689   Reference number：17A0990222

Quantitative Structure-activity Relationship (QSAR) Models for Docking Score Correction

ドッキングスコア補正のための定量的構造活性相関(QSAR)モデル【Powered by NICT】
Author (8)：
Fukunishi Yoshifumi

About Fukunishi Yoshifumi

(Molecular Profiling Research Center for Drug Discovery (molprof), National Institute of Advanced Industrial Science and Technology (AIST), 2-3-26, Aomi, Koto-ku, Tokyo, 135-0064, Japan)

About Molecular Profiling Research Center for Drug Discovery (molprof), National Institute of Advanced Industrial Science and Technology (AIST), 2-3-26, Aomi, Koto-ku, Tokyo, 135-0064, Japan

, 
Yamasaki Satoshi

About Yamasaki Satoshi

(Technology Research Association for Next-Generation Natural Products Chemistry, 2-3-26, Aomi, Koto-ku, Tokyo, 135-0064, Japan)

About Technology Research Association for Next-Generation Natural Products Chemistry, 2-3-26, Aomi, Koto-ku, Tokyo, 135-0064, Japan

, 
Yasumatsu Isao

About Yasumatsu Isao

(Technology Research Association for Next-Generation Natural Products Chemistry, 2-3-26, Aomi, Koto-ku, Tokyo, 135-0064, Japan)

About Technology Research Association for Next-Generation Natural Products Chemistry, 2-3-26, Aomi, Koto-ku, Tokyo, 135-0064, Japan

, 
Yasumatsu Isao

About Yasumatsu Isao

(Daiichi Sankyo RD Novare Co., Ltd., 1-16-13, Kita-Kasai, Edogawa-ku, Tokyo, 134-8630, Japan)

About Daiichi Sankyo RD Novare Co., Ltd., 1-16-13, Kita-Kasai, Edogawa-ku, Tokyo, 134-8630, Japan

, 
Takeuchi Koh

About Takeuchi Koh

(Molecular Profiling Research Center for Drug Discovery (molprof), National Institute of Advanced Industrial Science and Technology (AIST), 2-3-26, Aomi, Koto-ku, Tokyo, 135-0064, Japan)

About Molecular Profiling Research Center for Drug Discovery (molprof), National Institute of Advanced Industrial Science and Technology (AIST), 2-3-26, Aomi, Koto-ku, Tokyo, 135-0064, Japan

, 
Kurosawa Takashi

About Kurosawa Takashi

(Technology Research Association for Next-Generation Natural Products Chemistry, 2-3-26, Aomi, Koto-ku, Tokyo, 135-0064, Japan)

About Technology Research Association for Next-Generation Natural Products Chemistry, 2-3-26, Aomi, Koto-ku, Tokyo, 135-0064, Japan

, 
Kurosawa Takashi

About Kurosawa Takashi

(Hitachi Solutions East Japan, 12-1 Ekimaehoncho, Kawasaki-ku, Kanagawa, 210-0007, Japan)

About Hitachi Solutions East Japan, 12-1 Ekimaehoncho, Kawasaki-ku, Kanagawa, 210-0007, Japan

, 
Nakamura Haruki

About Nakamura Haruki

(Institute for Protein Research, Osaka University, 3-2 Yamadaoka, Suita, Osaka, 565-0871, Japan)

About Institute for Protein Research, Osaka University, 3-2 Yamadaoka, Suita, Osaka, 565-0871, Japan


Material：
Molecular Informatics

About Molecular Informatics


Volume： 36  Issue： 1-2  Page： ROMBUNNO.201600013  Publication year： 2017 
JST Material Number： W2686A  ISSN： 1868-1743  Document type： Article
Article type： 原著論文  Country of issue： United States (USA)  Language： ENGLISH (EN)
Abstract/Point：
Abstract/Point
Japanese summary of the article(about several hundred characters).
All summary is available on JDreamIII(charged).
On J-GLOBAL, this item will be available after more than half a year after the record posted. In addtion, medical articles require to login to MyJ-GLOBAL.
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Thesaurus term：
Thesaurus term/Semi thesaurus term
Keywords indexed to the article.
All keywords is available on JDreamIII(charged).
On J-GLOBAL, this item will be available after more than half a year after the record posted. In addtion, medical articles require to login to MyJ-GLOBAL.
*quantitative structure-activity relationship

About quantitative structure-activity relationship

, 
regression model

About regression model

, 
affinity

About affinity

, 
database

About database

, 
similarity

About similarity

, 
*model

About model

, 
prediction model

About prediction model

, 
linearity

About linearity

, 
protein

About protein

, 
*docking

About docking


Semi thesaurus term：
Thesaurus term/Semi thesaurus term
Keywords indexed to the article.
All keywords is available on JDreamIII(charged).
On J-GLOBAL, this item will be available after more than half a year after the record posted. In addtion, medical articles require to login to MyJ-GLOBAL.
線形回帰モデル

About 線形回帰モデル

, 
線形モデル

About 線形モデル

, 
加重

About 加重

, 
結合自由エネルギー

About 結合自由エネルギー

, 
ドッキングシミュレーション

About ドッキングシミュレーション

, 【Automatic Indexing@JST】
Author keywords (4)：
Binding free energy

About Binding free energy

, 
ChEMBL

About ChEMBL

, 
Docking score

About Docking score

, 
Protein-compound docking

About Protein-compound docking

JST classification (3)：
JST classification
Category name(code) classified by JST.
Enzyme in general 
(EB09010D)

About Enzyme in general

,  Other pollutants 
(SB05040W)

About Other pollutants

,  Structure-activity relationship of drugs 
(GV01050B)

About Structure-activity relationship of drugs

Terms in the title (5)：
Terms in the title
Keywords automatically extracted from the title.
ドッキング

About ドッキング

, 
スコア

About スコア

, 
定量的構造活性相関

About 定量的構造活性相関

, 
QSAR

About QSAR

, 
モデル

About モデル


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