Computational Biology & Cheminformatics Expert

Stack

Responsibilities

• ▹Analyze and interpret small-molecule and drug discovery datasets using computational biology, bioinformatics, and cheminformatics methods
• ▹Curate, annotate, and validate chemical and biological datasets (e.g., ChEMBL, PubChem, DrugBank)
• ▹Evaluate compound-target interactions, ADMET properties, and lead optimization strategies
• ▹Provide expert insights on structure-activity and structure-property relationships (SAR/SPR)
• ▹Build and implement code-based benchmark tasks reflecting realistic computational drug discovery scenarios
• ▹Develop reproducible environments (e.g., using Docker) and automated testing pipelines
• ▹Assess and review AI-generated outputs for scientific rigor and accuracy

Requirements

• ▹Advanced expertise in Computational Biology, Cheminformatics, Medicinal Chemistry, Biochemistry, or related fields; advanced degree (PhD, MSc, PharmD) highly valued
• ▹Strong coding proficiency in Python beyond analysis scripts, with familiarity in Git, GitHub, and Docker
• ▹Extensive experience with cheminformatics toolkits 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

Nice to have

• ▹Experience participating in multidisciplinary and/or remote projects
• ▹Familiarity with AI-assisted coding tools

Soft skills

About the company

micro1 engages Computational Biology & Cheminformatics Experts on a contract basis to support a customer's computational drug discovery project.