Computational Biology Cheminformatics Expert for Remote Contract
Overview
Remote contractor role focused on computational drug discovery. You’ll apply expert knowledge in bioinformatics, cheminformatics, and medicinal chemistry to support a customer’s discovery project and help train next‑generation AI systems. The work centers on analyzing datasets, curating chemical and biological data, and offering SAR/SPR insights to inform model learning. Expect to collaborate on reproducible environments and rigorous review of AI outputs to ensure scientific validity. Cheminformatics, RDKit, and Python are core tools in daily tasks.
What You'll Do7
- 1Analyze small‑molecule and drug discovery datasets using advanced computational biology and cheminformatics methods to derive meaningful insights.
- 2Curate and annotate chemical and biological datasets from sources like ChEMBL, PubChem, and DrugBank to support AI‑driven discovery workflows.
- 3Evaluate compound–target interactions, ADMET properties, and lead optimization strategies by integrating chemical, biological, and clinical data.
- 4Provide expert guidance on structure‑activity relationships and medicinal chemistry approaches, including experimental design considerations.
- 5Create and run code‑based benchmarks that simulate real drug discovery scenarios, using terminal or CLI environments.
- 6Develop reproducible software environments (for example with Docker) and automated tests to verify task solvability.
- 7Review AI‑generated outputs for scientific rigor and practical relevance, delivering detailed feedback and recommendations.
Requirements8
- 1Advanced knowledge in Computational Biology, Cheminformatics, Medicinal Chemistry, or Biochemistry (PhD or MSc/PharmD valued but not strictly required).
- 2Strong Python coding ability to build tools, pipelines, or testable code beyond simple analysis scripts.
- 3Hands‑on experience with Git, GitHub, and Docker for versioning and reproducible environments.
- 4Experience with cheminformatics toolkits and platforms such as RDKit, KNIME, Schrödinger, OpenEye, or MOE.
- 5Proven track record in small‑molecule drug discovery, SAR/QSAR evaluation, ADMET prediction, or virtual screening workflows.
- 6Comfort working with public chemical and bioactivity databases and integrating diverse datasets for analysis.
- 7Clear written communication of complex chemical and biological concepts in feedback and reports.
- 8Experience collaborating on multidisciplinary or remote projects; familiarity with AI‑assisted coding tools is a plus.
Who Should Apply
The ideal candidate brings deep domain knowledge in computational biology and cheminformatics with hands‑on Python development experience. They should be comfortable curating public datasets and translating complex chemistry concepts into actionable feedback. This role may be less suitable for someone without practical drug discovery experience or who lacks Git, Docker, and RDKit familiarity. Common fit issues include limited exposure to SAR/ADMET workflows and minimal experience contributing to remote, cross‑functional teams.
Salary Insight
$80 - $110/hr. Pay is discussed later if not stated here.
Location
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Application Tip
Highlight a concrete project where you built a tool or pipeline using RDKit and Python, and quantify impact (e.g., improved SAR insight or dataset curation workflow) to raise your fit score.
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1Application received
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