Generating structural alerts from toxicology datasets using the local interpretable model-agnostic explanations method
Cayque Monteiro Castro Nascimento, Paloma Guimarães Moura, André Silva Pimentel
Abstract
The local interpretable model-agnostic explanations method was used to interpret a machine learning model of toxicology generated by a neural network multitask classifier method.
Topics & Concepts
Computer scienceMachine learningArtificial intelligenceArtificial neural networkClassifier (UML)Data miningComputational Drug Discovery MethodsStatistical and Computational ModelingMetabolomics and Mass Spectrometry Studies