Quantum-to-Classical Neural Network Transfer Learning Applied to Drug Toxicity Prediction
Smaldone A, Batista V. Quantum-to-Classical Neural Network Transfer Learning Applied to Drug Toxicity Prediction. Journal Of Chemical Theory And Computation 2024, 20: 4901-4908. PMID: 38795030, DOI: 10.1021/acs.jctc.4c00432.Peer-Reviewed Original ResearchScalable machine learning modelVastness of chemical spaceInner product estimationDrug toxicity predictionMachine learning modelsLearnable weightsLearning AppliedDeep learningQuantum phase estimationTox21 dataHadamard testLearning modelsMatrix multiplicationReduced complexityNeural behaviorQuantum circuit designLife-saving applicationsQuantum advantagePrediction accuracyQuantumPhase estimationSwap testChemical spaceToxicity predictionCircuit design