A multilevel generative framework with hierarchical self-contrasting for bias control and transparency in structure-based ligand design
Lucian Chan, Rajendra Kumar, Marcel L. Verdonk, Carl Poelking
Topics & Concepts
Computer scienceGenerative grammarGenerative modelContext (archaeology)Transparency (behavior)Generative DesignMachine learningArtificial intelligenceNoveltyProcess (computing)EngineeringMetric (unit)Operations managementPhilosophyTheologyBiologyComputer securityPaleontologyOperating systemComputational Drug Discovery MethodsMicrobial Natural Products and BiosynthesisBioinformatics and Genomic Networks