Mining public-source databases for structure-activity relationships
نویسندگان
چکیده
منابع مشابه
Mining public-source databases for structure-activity relationships
Modeling off-target effects has become a highly important and relevant component of the computational chemistry toolset. The presentation will describe a new contribution that seeks to allow the extraction of 3Dstructure-activity relationships from public information starting from a chemical structure. Several public source databases such as PubChem [1] offering structure as well as activity in...
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ژورنال
عنوان ژورنال: Journal of Cheminformatics
سال: 2010
ISSN: 1758-2946
DOI: 10.1186/1758-2946-2-s1-p4