Integrating Stereoelectronic Effects into Molecular Graphs: A Novel Approach for Enhanced Machine Learning Representations and Molecular Property Predictions Shoaib Nazir Artificial Intelligence Category – MarkTechPost
[[{“value”:” Traditional molecular representations, primarily focused on covalent bonds, have neglected crucial aspects like delocalization and non-covalent interactions. Existing machine learning models have utilized information-sparse representations, limiting their ability to capture molecular complexity. While computational chemistry has developed robust quantum-mechanical methods, their application in machine… Read More »Integrating Stereoelectronic Effects into Molecular Graphs: A Novel Approach for Enhanced Machine Learning Representations and Molecular Property Predictions Shoaib Nazir Artificial Intelligence Category – MarkTechPost