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Cheminformatics Data Scientist

Q1 Technologies, Inc

  • Aurora, IL
  • 3 days ago

    Highlights

    Core Focus: Bridge organic chemistry and software engineering by curating chemical structure data, building automated Python pipelines, and developing cheminformatics workflows for drug discovery and AI/ML initiatives. Requirements: Master's degree or PhD in Chemistry, Cheminformatics, Computational Chemistry, or Computer Science (with strong chemistry background); professional experience in Python development and cheminformatics toolkits (RDKit, etc.).
    Q1 Technologies, Inc

    Numbers & Facts

    LocationAurora, IL
    IndustryComputer/IT Services
    Company Size500 to 999 employees
    Year Founded1990
    Websitehttp://q1tech.com/

    Description

    JD : Cheminformatics Software Engineer / Cheminformatics Data Scientist (commonly titled Cheminformatics Engineer or Scientific Software Engineer - Chemistry)
    Core Focus: Bridge organic chemistry and software engineering by curating chemical structure data, building automated Python pipelines, and developing cheminformatics workflows for drug discovery and AI/ML initiatives.

    Key Workstreams:
    • Perform data curation, standardization (tautomers, stereochemistry, salts), and quality control for chemical datasets and compound registration systems.
    • Design and develop Python applications, APIs, and scalable data pipelines using tools like RDKit or ChemAxon.
    • Compute molecular properties, perform substructure/similarity searches, and prepare feature datasets for predictive modeling
    • Cross-Boundary Collaboration: Partner closely with medicinal chemists, data scientists, and informatics teams to translate complex scientific requirements into reliable technical solutions.
    • Requirements: Master's degree or PhD in Chemistry, Cheminformatics, Computational Chemistry, or Computer Science (with strong chemistry background); professional experience in Python development and cheminformatics toolkits (RDKit, etc.).

    About Company

    Q1 consists of experienced and recognized experts providing the capability to respond to market demand in order to provide professional services for our clients including Enterprise software implementations, application integration and technical / functional support.

    Q1 has steadily grown into a Quality IT services and solutions organization with the average experience of our team being over 10 years. We have continuously met or exceeded client expectations by delivering professional services and project implementations on time and under budget to help clients truly recognize return on investment.

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