Just Another Chemical Query (ChemQ) Tool or Not

presentation · 9 years ago
by Matthew Pustelnik (Takeda)
JChem Base

Chemists across diverse industries have the need to perform structure searching for both public and proprietary chemical databases. We set out to build a web-based application that could quickly import and deploy chemical databases to scientists. This system, ChemQ, was built utilizing open source software components (except for JChem Base and Marvin) and has been globally deployed within Takeda to host the Takeda global compound collection, Aldrich ChemNavigator and UCSF ZINC chemical databases. This presentation will highlight the roadmap of ChemQ from Proof-of-Concept to global deployment and our intent to open source the software for collaborative industry development.

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