Litcius/Paper detail

Prediction of second-order rate constants between carbonate radical and organics by deep neural network combined with molecular fingerprints

Peizhe Sun, Huixin Ma, Shangyu Li, Hong Yao, Ruochun Zhang

2021Chinese Chemical Letters19 citationsDOI

Topics & Concepts

CarbonateMolecular descriptorArtificial neural networkReaction rate constantSupport vector machineBiological systemArtificial intelligenceYield (engineering)Computer scienceChemistryReaction rateDecision treePattern recognition (psychology)Quantitative structure–activity relationshipMachine learningMaterials scienceKineticsOrganic chemistryCatalysisBiologyPhysicsQuantum mechanicsMetallurgyComputational Drug Discovery MethodsChemistry and Chemical EngineeringPharmaceutical and Antibiotic Environmental Impacts
Prediction of second-order rate constants between carbonate radical and organics by deep neural network combined with molecular fingerprints | Litcius