Publications by authors named "Sushil Tigga"
Background: Cheminformatics is a fascinating emerging subfield of chemical graph theory that studies quantitative structure-activity and property relationships of molecules and, in turn, uses these to predict the physical and chemical properties, which are extremely useful in drug discovery and optimization. Knowledge discovery can be put to use in pharmaceutical data matching to help in finding promising lead compounds.
Method: Topological descriptors are numerical quantities corresponding to the chemical structures that are used in the study of these phenomena.
Article Synopsis
- Entropy measures in connected networks are useful in various fields like chemistry and biology to analyze the complex structures of low-symmetry molecules.
- Topological indices and graph entropy metrics simplify the study of molecular structures, leading to innovations in frameworks like zeolites.
- This study compares zeolites BCT and DFT, using entropy measures to show that zeolite BCT has higher entropy values, indicating greater structural complexity.