Computational Biology & Cheminformatics Expert
This role is hiring through micro1, not NeonLabs. The description below is micro1’s own wording from their official listing, so "we" and "our" refer to micro1.
About this role
Role Title: Computational Biology & Cheminformatics Expert
Role Type: Contractor
Location: Remote
micro1 is engaging Computational Biology & Cheminformatics Experts to contribute their expertise to a customer’s computational drug discovery project. In this role, you'll apply your expertise to help train next-generation AI systems. Your work will shape how models learn, reason, and perform through high-quality, real-world input. No prior experience in AI is required , your domain knowledge is what matters.
Scope of Work
- Analyze and interpret small-molecule and drug discovery datasets using advanced computational biology, bioinformatics, and cheminformatics methods.
- Curate, annotate, and validate chemical and biological datasets (e.g., ChEMBL, PubChem, DrugBank) to support AI-driven discovery platforms.
- Evaluate compound-target interactions, ADMET properties, and lead optimization strategies by integrating chemical, biological, and clinical data sources.
- Provide expert insights on structure-activity and structure-property relationships (SAR/SPR), medicinal chemistry approaches, and experimental design considerations.
- Build and implement code-based benchmark tasks (e.g., terminal/CLI-based environments) that reflect realistic computational drug discovery scenarios.
- Develop reproducible environments (e.g., using Docker) and automated testing pipelines to ensure task correctness and solvability.
- Assess and review AI-generated outputs for scientific rigor, accuracy, and practical relevance, delivering detailed written feedback and recommendations.
Preferred Qualifications
- Advanced expertise in Computational Biology, Cheminformatics, Medicinal Chemistry, Biochemistry, or related fields; advanced degree (PhD, MSc, PharmD) highly valued but not strictly required.
- Strong coding proficiency in Python (beyond analysis scripts), with hands-on experience building tools, pipelines, or testable code; familiarity with Git, GitHub, and Docker.
- Extensive experience with cheminformatics toolkits and platforms such as RDKit, KNIME, Schrödinger, OpenEye, or MOE.
- Proven track record in small-molecule drug discovery, SAR/QSAR evaluation, ADMET prediction, or virtual screening workflows.
- Comfort working with public chemical and bioactivity databases and integrating diverse datasets for scientific analysis.
- Demonstrated ability to clearly communicate complex chemical and biological concepts in written feedback and reports.
- Experience participating in multidisciplinary and/or remote projects; familiarity with AI-assisted coding tools is a plus.
Key skills
- bioinformatics
- biochemistry
- ADMET
- Cheminformatics
- Molecular Docking
- Structure-Activity Relationship
- RDKit
- Python
- Git
- GitHub
- Docker
- Test
Details
- Company: micro1
- Location: Remote
- Eligible locations: Bangladesh, Hong Kong, India, Indonesia, Japan, Kazakhstan and 52 more
- Platform: micro1
Apply directly through micro1 using the link below. micro1 hires experts for remote, flexible roles training and evaluating frontier AI systems.
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