Message-passing neural network based multi-task deep-learning framework for COSMO-SAC based σ-profile and VCOSMO prediction
Jun Zhang, Qin Wang, Weifeng Shen
Topics & Concepts
Artificial neural networkComputer scienceFeed forwardContext (archaeology)Feedforward neural networkFeature (linguistics)Matching (statistics)Representation (politics)Artificial intelligenceMessage passingMathematicsEngineeringStatisticsControl engineeringPoliticsPolitical scienceBiologyLinguisticsPaleontologyLawPhilosophyProgramming languageComputational Drug Discovery MethodsMachine Learning in Materials ScienceCrystallography and molecular interactions