Transformer-convolutional neural network for surface charge density profile prediction: Enabling high-throughput solvent screening with COSMO-SAC
Guzhong Chen, Zhen Song, Zhiwen Qi
Topics & Concepts
Convolutional neural networkTransformerComputer scienceArtificial neural networkchEMBLArtificial intelligenceDeep learningEncoderSolventMachine learningPattern recognition (psychology)ChemistryDrug discoveryEngineeringVoltageElectrical engineeringOperating systemOrganic chemistryBiochemistryComputational Drug Discovery MethodsMachine Learning in Materials ScienceIonic liquids properties and applications