5月学内共同研究促進トーク

5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宮尾知幸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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宮尾知幸 准教授（データ駆動型化学研究室）

TITLE:
About Data-driven Chemical Structure Generation

ABSTRACT：
Over the decades, computational methods for molecular structure generation have become sophisticated from combining building blocks to running generative models. During my PhD course, I studied chemical structure generation by inversely analyzing a quantitative structure-activity relationship model to propose chemical structures showing desired activity. Although the proposed method worked well, and we successfully published several research papers, one question: “Can we rationally generate novel compounds by a data-driven approach?” has haunted me whenever I come up with a research topic related to structure generation. In this talk, I would like to share my concerns and opinions about structure generation and try to organize my thoughts.