Quality testing of distance-based molecular descriptors for benzenoid hydrocarbons
Sakander Hayat, Suliman Khan, Muhammad Imran, Jia‐Bao Liu
Topics & Concepts
Chemistryvan der Waals forceBoiling pointIntermolecular forceTopological indexDistance matrixStatistical physicsMolecular descriptorThermodynamicsComputational chemistryQuantitative structure–activity relationshipAlgorithmMoleculeMathematicsOrganic chemistryStereochemistryPhysicsComputational Drug Discovery MethodsGraph theory and applicationsFree Radicals and Antioxidants