A hitchhiker's guide to deep chemical language processing for bioactivity prediction
Rıza Özçelik, Francesca Grisoni
Abstract
Deep learning offers a plethora of solutions to accelerate drug discovery. Here we discover simple and effective approaches to develop bioactivity prediction models via ‘chemical language’.
Topics & Concepts
Natural language processingComputer scienceArtificial intelligenceSpeech recognitionComputational Drug Discovery MethodsMachine Learning in Materials ScienceMachine Learning in Bioinformatics