Assistant Prof. Swarit Jasial (Data-Driven Chemistry Laboratory)
TITLE: Chemoinformatics: In silico techniques applied to a range of problems in Chemistry
Chemoinformatics refers to the application of algorithms and computational methods to process data concerning chemical and molecular structures. The analysis of chemical data allows the relationship between chemical structure, chemical properties, and molecular activity to be studied. In this talk, I will shed light on few case studies that I have been working on while being part of NAIST, including prediction of antifungal activity, analyzing reactivity of compounds using quantum mechanics, and target identification of natural products, where different aspects of Chemoinformatics were used.