Predicted Biological Activity of Purchasable Chemical Space
نویسندگان
چکیده
منابع مشابه
Predicted Biological Activity of Purchasable Chemical Space
Whereas 400 million distinct compounds are now purchasable within the span of a few weeks, the biological activities of most are unknown. To facilitate access to new chemistry for biology, we have combined the Similarity Ensemble Approach (SEA) with the maximum Tanimoto similarity to the nearest bioactive to predict activity for every commercially available molecule in ZINC. This method, which ...
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ژورنال
عنوان ژورنال: Journal of Chemical Information and Modeling
سال: 2017
ISSN: 1549-9596,1549-960X
DOI: 10.1021/acs.jcim.7b00316