Effects of data quality and quantity on deep learning for protein-ligand binding affinity prediction
Frankie J Fan, Yun Shi
Topics & Concepts
AffinitiesDeep learningArtificial intelligenceBinding affinitiesDrug discoveryMachine learningChemistryConvolutional neural networkProtein ligandQuality (philosophy)Artificial neural networkTraining setLigand (biochemistry)Predictive powerComputer scienceData miningStereochemistryBiochemistryPhilosophyReceptorEpistemologyComputational Drug Discovery MethodsProtein Structure and Dynamicsvaccines and immunoinformatics approaches