Artificial intelligence in virtual screening: Models versus experiments
N. Arul Murugan, Gnana Ruba Priya, G. Narahari Sastry, Stefano Markidis
Topics & Concepts
Drug discoveryVirtual screeningChemical spaceMachine learningComputer scienceRanking (information retrieval)Artificial intelligenceHigh-throughput screeningComputational biologyBioinformaticsBiologyComputational Drug Discovery MethodsMachine Learning in Materials ScienceMicrobial Natural Products and Biosynthesis