Advancing molecular machine learning representations with stereoelectronics-infused molecular graphs
Daniil A. Boiko, Thiago Reschützegger, Benjamín Sánchez-Lengeling, Samuel M. Blau, Gabriel dos Passos Gomes
Topics & Concepts
Computer scienceArtificial intelligenceNatural language processingMachine Learning in Materials ScienceFractal and DNA sequence analysisQuantum-Dot Cellular Automata