2024
T-cell receptor binding prediction: A machine learning revolution
Weber A, Pélissier A, MartÃnez M. T-cell receptor binding prediction: A machine learning revolution. ImmunoInformatics 2024, 15: 100040. DOI: 10.1016/j.immuno.2024.100040.Peer-Reviewed Original ResearchProtein language modelsT cell receptorExtract biological insightsUnlabeled protein sequencesProtein sequencesBinding specificityBiological insightsProtein modelsRepertoire dataDeep learning modelsSequenceBlack-box modelsUnsupervised clustering approachDataset biasEvolution of computational modelsLack of generalityLanguage modelImmunizing sequencesMachine learning effortsCompetitive performanceOpaque modelsBiological propertiesLearning modelsClustering approachSupervised modelsDo domain-specific protein language models outperform general models on immunology-related tasks?
Deutschmann N, Pelissier A, Weber A, Gao S, Bogojeska J, MartÃnez M. Do domain-specific protein language models outperform general models on immunology-related tasks? ImmunoInformatics 2024, 14: 100036. DOI: 10.1016/j.immuno.2024.100036.Peer-Reviewed Original ResearchProtein language modelsDevelopment of bioinformatics pipelinesAmino acid sequenceAntigen recognition capabilitiesBioinformatics pipelineAcid sequenceProtein functionDomain-specific modelsEvolutionary changesB cell receptorAdaptive immune system responsesImmune receptorsT cell receptorB cellsT cellsImmune system responseDownstream analytical tasksVector embeddingsRepresentation capabilityLanguage modelImmune responseEmbedding layerReceptorsAnalytical tasks
2023
Chemical representation learning for toxicity prediction
Born J, Markert G, Janakarajan N, Kimber T, Volkamer A, MartÃnez M, Manica M. Chemical representation learning for toxicity prediction. Digital Discovery 2023, 2: 674-691. DOI: 10.1039/d2dd00099g.Peer-Reviewed Original ResearchChemical language modelsLanguage modelMolecular property prediction tasksMolecular property prediction modelProperty prediction tasksMolecular property predictionExplicit supervisionAttention weightsMultiscale convolutionData augmentationPrediction taskToxicity datasetMolecular representationsProperty prediction modelsImproved accuracyModel reliabilityDatasetProperty predictionChemical representationsToxicity predictionPrediction uncertaintyUncertainty estimationDrug discoveryRepresentationPrediction model
This site is protected by hCaptcha and its Privacy Policy and Terms of Service apply