Total synthesis of 25 picrotoxanes by virtual library selection
Chunyu Li, Ryan A. Shenvi
Topics & Concepts
PredictabilityComputer scienceScalabilityAnalogySelection (genetic algorithm)Representation (politics)Virtual screeningCASPCombinatorial chemistryTheoretical computer scienceChemistryDrug discoveryArtificial intelligenceDatabaseProtein structureMathematicsProtein structure predictionBiochemistryLawPhilosophyLinguisticsPoliticsStatisticsPolitical scienceCatalysis for Biomass ConversionInnovative Microfluidic and Catalytic Techniques InnovationOxidative Organic Chemistry Reactions