データ駆動型サイエンス創造センター

DSCトーク

Events

2022.03.22
DSCトーク

3月学内共同研究促進トーク

3月の学内共同研究促進トークは、データ駆動型化学研究室のSwarit Jasial先生にご講演いただきました。

タイトルと概要は以下になります。

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Assistant Prof. Swarit Jasial (Data-Driven Chemistry Laboratory)

TITLE: Chemoinformatics: In silico techniques applied to a range of problems in Chemistry

Abstract:

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.