P03-06

Development of New data analysis platform for medicinal chemist in Daiichi Sankyo

Takayuki SERIZAWA *, Kosuke TAKEUCHI, Kosuke MINAGAWA, Kan SHIRAISHI, Shunya MAKINO

Group 1, Modality Research Laboratories, Daiichi Sankyo Co., Ltd. 
( * E-mail: takayuki.serizawa@daiichisankyo.com )

From 2018, Daiichi Sankyo has built new cheminformatics team and designed Data Driven Drug Discovery (D4 ) group engaged in close interactions with other researchers participating in the Design-Make-Test-Analyze (DMTA) cycle[1] such as medicinal chemists, CADD team, and pharmacologists
From our D4 contribution analysis we found that SAR visualization/analysis is one of the important D4 activities, because medicinal chemists need to analyze SAR data and decide what to make next with their hypothesis.
However , there are few tools that can offer flexible SAR visualization/analysis environments for users and supporting idea sharing among them.
In order to overcome the issue, we built new data analysis platform with Datagrok[2]. The platform can quickly visualize complex SAR data and run lots of cheminformatics tasks such as clustering molecules, MMP analysis and applying QSAR prediction. Besides, medicinal chemists can share their design idea and progress of the design in the same platform, so that they can prioritize their ideas before starting synthesis. From technical point of view, the platform can offer flexible development environment with multiple programming languages such as python, R, and JavaScript for cheminformatics team.
Here we would like to present our internal effort to new SAR analysis platform with Datagrok[2].

1. Drug Discov. Today, 27 (8) (2022), pp. 2065-2070
2. https://datagrok.ai/