Senior-Principal Scientist, Cheminformatics

Job Description
Job Description
• Partners with Chemistry and Computational Sciences Department staff and leadership to identify opportunities for collaboration and support.
• Serves as the technical leader and point of contact for cheminformatics software development, implementation and support within research informatics.
• Provides and supports state-of-the-art aligned and integrated cheminformatics solutions to discovery teams
• Partners with computational sciences team to co-develop cheminformtics software solutions to facilitate Structure and Activity Relationship analysis.
• Maintains and enhances content for the Certara D360 and Pipeline Pilot Web Port or similar set of cheminformatics tools, and integrates this content with other research informatics applications.
• Proactively evaluate internal and external data sources to be integrated into the D360 platform.
• Develops software plug-ins to extend the capability of D360 platform.
• Leads software integration between commercial chemistry ELN and internal compound registration system.
• Leads the implementation of ACD/Spectrus database to enable integrated searching of spectrum/chromatogram, compound structure and assay data.
• Leads the effort of simplifying and optimizing the in-house cheminformatics software infrastructure to improve its scalability.
• Independently writes software code of high complexity for major systems.
• Works with the analysts to provide timely solutions to requests and issues.

Requirements
• MS or Ph.D. in Chemistry or Computational Chemistry with minimum 7 years industry experience
• Proven experience of cheminformatics software in pharmaceutical settings.
• Proven experience of integrating commercial software with in-house software solutions.
• In-depth understanding of all functional drug discovery processes and the tools to support operations
• Significant experience of using commercial chemistry cartridge for compound physical and chemical property calculation, substructure and similarity search.
• Experience with capturing 3D structural information and providing searching methodologies (2D and 3D) for such data
• Experienced with commercial and public content providers (e.g. Reaxys, SciFinder, DiscoveryGate, Prous Integrity, ACD, PubChem)
• Knowledge and understanding of common molecule representations/formats
• Significant web application programming experience utilizing Java Servlet/JSP, JDBC, PL/SQL, HTML/DHTML, XML, CSS, JavaScript, DOM, AJAX, JSON
• Significant experience with Service Oriented Architecture and web services technology.
• Expert knowledge and experience in SDLC.
• Experience with the following systems/framework/solutions/toolkits: Oracle SQL Developer, Apache Tomcat, Ant, Maven, Log4J, POI, Structs, Spring, iText, XLfit, Prism, R, ActivityBase, Chemaxon chemical cartridge, JChem Tools, Spotfire, Pipeline Pilot, Knime.
• Excellent communication, interpersonal, and organizational skills.

Company

Takeda Pharmaceuticals-San Diego

Job Code

State or Province

California

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