2021
On the feasibility of deep learning applications using raw mass spectrometry data
Cadow J, Manica M, Mathis R, Reddel R, Robinson P, Wild P, Hains P, Lucas N, Zhong Q, Guo T, Aebersold R, Martínez M. On the feasibility of deep learning applications using raw mass spectrometry data. Bioinformatics 2021, 37: i245-i253. PMID: 34252933, PMCID: PMC8275322, DOI: 10.1093/bioinformatics/btab311.Peer-Reviewed Original ResearchConceptsRaw mass spectrometry dataDeep learning modelsRaw MS dataMass spectrometry dataClassification performanceDeep learningMS dataMass spectrometryLearning modelsSpectrometry dataApplication of deep learningMS imagesNatural image classificationDeep learning applicationsPrivacy of individualsTransfer learning techniqueData-independent-acquisitionMS2 spectraClassification taskData processing pipelinesClassification labelsImage classificationFeature vectorTransfer learningSample sparsity
2019
Toward Explainable Anticancer Compound Sensitivity Prediction via Multimodal Attention-Based Convolutional Encoders
Manica M, Oskooei A, Born J, Subramanian V, Sáez-Rodríguez J, Martínez M. Toward Explainable Anticancer Compound Sensitivity Prediction via Multimodal Attention-Based Convolutional Encoders. Molecular Pharmaceutics 2019, 16: 4797-4806. PMID: 31618586, DOI: 10.1021/acs.molpharmaceut.9b00520.Peer-Reviewed Original ResearchConceptsConvolutional encoderReceptor tyrosine kinasesProtein-protein interaction networkAttention-based encoderStructural similarity indexSelection of encodingDrug designDrug sensitivity predictionGene expression profilesIn silico predictionSensitivity predictionAttention weightsLeukemia cell linesSMILES sequencesInformative genesGene expression profiles of tumorsApoptotic processInteraction networkExpression profiles of tumorsBaseline modelIntracellular interactionsEncodingTyrosine kinaseDevelopment of personalized therapiesGenes