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Beyond Textual Data: Predicting Drug-Drug Interactions from Molecular Structure Images using Siamese Neural Networks

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arxiv 1911.06356 v2 pith:YZXS6FER submitted 2019-11-14 cs.LG stat.ML

classification cs.LGstat.ML
keywords dataddisdrug-drugimagesinteractionslearningmachinepredicting
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Predicting and discovering drug-drug interactions (DDIs) is an important problem and has been studied extensively both from medical and machine learning point of view. Almost all of the machine learning approaches have focused on text data or textual representation of the structural data of drugs. We present the first work that uses drug structure images as the input and utilizes a Siamese convolutional network architecture to predict DDIs.

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