De novo design of drug-like molecules by a fragment-based molecular evolutionary approach.

Kawai, Kentaro; Nagata, Naoya; Takahashi, Yoshimasa

Kawai, Kentaro; Nagata, Naoya; Takahashi, Yoshimasa.

Affiliation

Kawai K; Central Research Laboratories, Kaken Pharmaceutical Co. Ltd. , 14, Shinomiya Minamikawara-cho, Yamashina, Kyoto 607-8042, Japan.

J Chem Inf Model ; 54(1): 49-56, 2014 Jan 27.

Article in En | MEDLINE | ID: mdl-24372539

Subject(s)

Directed Molecular Evolution/statistics & numerical data; Drug Design; Algorithms; Animals; Computational Biology; Computer Simulation; Databases, Pharmaceutical; Drug Discovery/statistics & numerical data; Humans; Ligands; Models, Chemical; Molecular Structure; Mutation; Quantitative Structure-Activity Relationship; Rats; Receptor, Adenosine A2A/drug effects; Receptor, Serotonin, 5-HT1A/drug effects

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Drug Design / Directed Molecular Evolution Limits: Animals / Humans Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2014 Document type: Article Affiliation country: Japan Country of publication: United States

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