Physiochemical Properties of Medicines-Using Graph Eccentricity and Multiple Regression
Shivam Gupta, M. Yamuna · Research Journal of Pharmacy and Technology · 2018
Medicines have many predictable properties like water solubility, melting point, boiling point and so on. These are related to the molecular structure of the medicine. These molecular structures can be represented as graph theory graph structures. In this paper we propose a method of determining the predictable properties using graph eccentricity and multiple regression.