pone.0293629.g002.tif (410.48 kB)
Predicting the existence or absence of interaction between a new and an existing molecule using LAMFP.
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posted on 2023-11-09, 18:22 authored by Guy Shtar, Adir Solomon, Eyal Mazuz, Lior Rokach, Bracha ShapiraStep1: a new molecule is lookup using the lookup mechanism, m = 3 similar drugs, and the drug’s similarity are retrieved. Step 2: the DDI between the m drugs and the existing drug is predict. Step 3: the result is the average score weighted by similarity.
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preclinical problem settingpassing neural networklaboratory studies aimedadjacency matrix factorizationsupport unseen moleculeslamfp outperforms statexlink "> drugdrug safety surveillancepreclinical ddi predictionnew lookup mechanismdrugs &# 8217ddi predictionunseen drugslamfp ).new drugexisting drugdrug interactionstypically difficultsimplified similaritysilico methodsretrospective analysismolecule lifecyclemany casesmachine learninglater versioninteractions involvinghigh accuracyexisting methodexisting drugsdrugbank databasecomputational experimentschemical structurebased methodbased approachesbased approachamfp ),also demonstrate
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