Machine learning assisted designing of Y-series small molecule acceptors: Library generation and property prediction
Farooq Ahmad, Asif Mahmood, Islam H. El Azab, Nafees Ahmad, M.H.H. Mahmoud, Zeinhom M. El‐Bahy
Topics & Concepts
Chemical spaceChemistryCluster analysisEmbeddingMoleculeSmall moleculeMachine learningArtificial intelligenceRandom forestProperty (philosophy)Set (abstract data type)Density functional theorySeries (stratigraphy)Molecular descriptorBiological systemQuantitative structure–activity relationshipComputational chemistryComputer scienceDrug discoveryStereochemistryOrganic chemistryPaleontologyEpistemologyBiochemistryBiologyProgramming languagePhilosophyOrganic Electronics and PhotovoltaicsConducting polymers and applicationsMachine Learning in Materials Science