Computational studies of toxicity and properties of β-diketones through topological indices and M/NM-polynomials
Medha Itagi Huilgol, M. Sriram, H. Jayakrishna Udupa, K. Balasubramanian
Topics & Concepts
ChemistryQuantitative structure–activity relationshipMoietyTautomerCombinatorial chemistryToxicityEnolMoleculeTopological indexComputational chemistryOrganic chemistryStereochemistryCatalysisComputational Drug Discovery MethodsGraph theory and applicationsFree Radicals and Antioxidants