Maximum-Score Diversity Selection for Early Drug Discovery
نویسندگان
چکیده
منابع مشابه
Maximum-score diversity selection for early drug discovery
Diversity selection is a common task in early drug discovery. One drawback of current approaches is that usually only the structural diversity is taken into account, therefore, activity information is ignored. In this article, we present a modified version of diversity selection, which we term Maximum-Score Diversity Selection, that additionally takes the estimated or predicted activities of th...
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ژورنال
عنوان ژورنال: Journal of Chemical Information and Modeling
سال: 2011
ISSN: 1549-9596,1549-960X
DOI: 10.1021/ci100426r