Article

Learning Machine Reasoning for Bioactivity Prediction of Chemicals

2020-05-08

Abstract excerpt

We describe a method for learning higher-level vector representations of interactions between molecular features and biology. We named the representations as the reason vectors . In contrast to the high-dimensional chemical fingerprints, reason vectors are much simpler with only about 5 dimensions. They allow abstract reasoning for bioactivity of chemicals or absence thereof, uncover causal factors in interaction...

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Identifiers and source

Literature Corpus work: 0628bd42-6a49-53ac-b363-dc0d22bdd227
DOI: 10.26434/chemrxiv.12269480.v1

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