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J-GLOBAL ID：200902227376756307   Reference number：05A0584726

Identification of Dopamine D1 Receptor Agonists and Antagonists under Existing Noise Compounds by TFS-based ANN and SVM

TFS系ANNおよびSVMによるノイズ化合物共存下のドーパミンD1受容体作動薬およびきっ抗薬の同定

Author (5)： TAKAHASHI Yoshimasa (Toyohashi Univ. Technol., Toyohashi, JPN) ,  FUJISHIMA Satoshi (Toyohashi Univ. Technol., Toyohashi, JPN) ,  NISHIKOORI Katsumi (Toyohashi Univ. Technol., Toyohashi, JPN) ,  KATO Hiroaki (Toyohashi Univ. Technol., Toyohashi, JPN) ,  OKADA Takashi (Kwansei Gakuin Univ., Sanda, JPN)
Material： Journal of Computer Chemistry, Japan  (J Comput Chem Jpn)
Volume： 4  Issue： 2  Page： 43-48  Publication year： Jun. 15, 2005 
JST Material Number： L1437B  ISSN： 1347-1767  CODEN： JCCJAG  Document type： Article
Article type： 原著論文  Country of issue： Japan (JPN)  Language： ENGLISH (EN)

Thesaurus term： *Dopamine D1 Receptor ,...
Semi thesaurus term： topology ,...

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JST classification (2)： Other chemistry in general  (CA01060X) ,  Molecular compounds  (CE02000C)

Reference (15)：

• [1] M. A. Johnson, G. M. Maggiora, (Eds), Concepts and Applications of Molecular Similarity, Wiley, New York (1990).
• [2] Y. Takahashi, Identification of Structural Similarity of Organic Molecules, Topics in Current Chemistry, 174, 105-133 (1995).
• [3] M. Rarey, M. Stahl, Similarity Searching in Large Combinatorial Chemistry Spaces, J. Comput.-Aided Mol. Des., 15, 497-520 (2001).
• [4] J. W. Raymond, P. Willett, Effectiveness of Graph-Based and Fingerprint-Based Similarity Measures for Virtual Screening of 2D Chemical Structure Databases, J. Comput. -Aided Mol. Des., 16, 59-71 (2002).
• [5] D. Wilton, P. Willett, Comparison of Ranking Methods for Virtual Screening in Discovery Program, J. Chem. Inf. Comput. Sci., 43, 469-474 (2003).

Terms in the title (8)： TFS ,  SVM ,  ノイズ ,  共存 ,  ドーパミンD1受容体 ,  作動薬 ,  きっ抗薬 ,  同定