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J-GLOBAL ID：201902236455962630   Reference number：19A1561447

Computational prediction of plasma protein binding of cyclic peptides from small molecule experimental data using sparse modeling techniques

スパースモデリング技術を用いた小分子実験データからの環状ペプチドの血漿蛋白質結合の計算予測【JST・京大機械翻訳】

Author (11)： Tajimi Takashi (Department of Computer Science, School of Computing, Tokyo Institute of Technology, Tokyo, Japan) ,  Wakui Naoki (Department of Computer Science, School of Computing, Tokyo Institute of Technology, Tokyo, Japan) ,  Wakui Naoki (Middle Molecule IT-based Drug Discovery Laboratory (MIDL), Tokyo Institute of Technology, Kawasaki city, Japan) ,  Yanagisawa Keisuke (Department of Computer Science, School of Computing, Tokyo Institute of Technology, Tokyo, Japan) ,  Yoshikawa Yasushi (Department of Computer Science, School of Computing, Tokyo Institute of Technology, Tokyo, Japan) ,  Yoshikawa Yasushi (Middle Molecule IT-based Drug Discovery Laboratory (MIDL), Tokyo Institute of Technology, Kawasaki city, Japan) ,  Ohue Masahito (Department of Computer Science, School of Computing, Tokyo Institute of Technology, Tokyo, Japan) ,  Ohue Masahito (Middle Molecule IT-based Drug Discovery Laboratory (MIDL), Tokyo Institute of Technology, Kawasaki city, Japan) ,  Akiyama Yutaka (Department of Computer Science, School of Computing, Tokyo Institute of Technology, Tokyo, Japan) ,  Akiyama Yutaka (Middle Molecule IT-based Drug Discovery Laboratory (MIDL), Tokyo Institute of Technology, Kawasaki city, Japan) ,  Akiyama Yutaka (Molecular Profiling Research Center for Drug Discovery (molprof), National Institute of Advanced Industrial Science and Technology (AIST), Tokyo, Japan)
Material： BMC Bioinformatics (Web)  (BMC Bioinforma (Web))
Volume： 19  Issue： 19  Page： 527  Publication year： 2018 
JST Material Number： U7025A  ISSN： 1471-2105  Document type： Article
Article type： 原著論文  Country of issue： United Kingdom (GBR)  Language： ENGLISH (EN)

Abstract/Point： Cyclic peptide-based drug disc...

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Thesaurus term： *peptide ,  machine learning ,  molecular compound ,  *small molecule ,  prediction model ,  *cyclopeptide ,  *forecast ,  model ,  higher dimension
Semi thesaurus term： リッジ回帰 ,  予測精度 ,  非線形モデル ,  標的蛋白質 ,  *スパースモデリング , 【Automatic Indexing@JST】

Author keywords (5)： Sparse modeling ,  Feature selection ,  Cyclic peptide ,  Biostability ,  Plasma protein binding (PPB)

JST classification (1)： Molecular and genetic information processing  (JE15040B)

Reference (46)：

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• Expert Opin Drug Discov; Cyclotides as a basis for drug design; DJ Craik, JE Swedberg, JS Mylne, M Cemazar; 7; 3; 2012; 179-194; 10.1517/17460441.2012.661554; citation_id=CR2
• Acc Chem Res; Cyclotides as tools in chemical biology; SJ Veer, J Weidmann, DJ Craik; 50; 7; 2017; 1557-1565; 10.1021/acs.accounts.7b00157; citation_id=CR3
• Eur J Med Chem; Lead discovery and optimization strategies for peptide macrocycles; A Bhat, LR Roberts, JJ Dwyer; 94; 2015; 471-479; 10.1016/j.ejmech.2014.07.083; citation_id=CR4
• Angew Chem Int Ed Engl.; New modalities for challenging targets in drug discovery; E Valeur, SM Guéret, H Adihou, R Gopalakrishnan, M Lemurell, H Waldmann, TN Grossmann, AT Plowright; 56; 35; 2017; 10294-10323; 10.1002/anie.201611914; citation_id=CR5

Terms in the title (7)： スパースモデリング ,  小分子 ,  実験データ ,  環状ペプチド ,  血漿蛋白質結合 ,  計算 ,  予測