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1. 1. Multi-task regression QSAR/QSPR prediction utilizing text-based Transformer Neural Network and single-task using feature-based models

   Master-uppsats, Linköpings universitet/Statistik och maskininlärning

   Författare :Spyridon Dimitriadis; [2021]
   Nyckelord :multi-task regression; QSAR; QSPR; deep learning; attention based models; transfer learning;

   Sammanfattning : With the recent advantages of machine learning in cheminformatics, the drug discovery process has been accelerated; providing a high impact in the field of medicine and public health. Molecular property and activity prediction are key elements in the early stages of drug discovery by helping prioritize the experiments and reduce the experimental work. LÄS MER