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iATC-mISF: a multi-label classifier for predicting the classes of anatomical therapeutic chemicals.
Bioinformatics
February 2017
Gordon Life Science Institute, Boston, MA, USA.
Motivation: Given a compound, can we predict which anatomical therapeutic chemical (ATC) class/classes it belongs to? It is a challenging problem since the information thus obtained can be used to deduce its possible active ingredients, as well as its therapeutic, pharmacological and chemical properties. And hence the pace of drug development could be substantially expedited. But this problem is by no means an easy one.
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