GPURFSCREEN: a GPU based virtual screening tool using random forest classifier
نویسندگان
چکیده
منابع مشابه
GPURFSCREEN: a GPU based virtual screening tool using random forest classifier
BACKGROUND In-silico methods are an integral part of modern drug discovery paradigm. Virtual screening, an in-silico method, is used to refine data models and reduce the chemical space on which wet lab experiments need to be performed. Virtual screening of a ligand data model requires large scale computations, making it a highly time consuming task. This process can be speeded up by implementin...
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ژورنال
عنوان ژورنال: Journal of Cheminformatics
سال: 2016
ISSN: 1758-2946
DOI: 10.1186/s13321-016-0124-8