International Business Machines Corporation
Identifying chemical substructures associated with adverse drug reactions

Abstract:

Embodiments of the present invention are directed to a computer-implemented method for generating a framework for analyzing adverse drug reactions. A non-limiting example of the computer-implemented method includes receiving to a processor, a plurality of drug chemical structures. The non-limiting example also includes receiving, to the processor, a plurality of known drug-adverse drug reaction associations. The non-limiting example also includes constructing, by the processor, a deep learning framework for each of a plurality of adverse drug reactions based at least in part upon the plurality of drug chemical structures and the plurality of known adverse-drug reaction associations.