Computational Chemist
Core
Champion computational sciences and AI/ML in drug discovery, supporting hit finding to clinical candidate progression via in silico design and data analysis.
Role type
Senior IC computational chemist (drug discovery)
Builds
Computational workflows, CADD simulations, and data-driven design hypotheses for drug candidates
Domain
Pharmaceutical drug discovery / computational chemistry
Deliverable
production ML models | product features
Required skills
medicinal chemistry principles, ligand-based design (QSAR, similarity searching), free energy methods (FEP, MM-GBSA), large dataset curation, modern AI/ML in drug discovery, statistical thinking, software engineering practices, ADMET prediction integration, experimental data assessment
Preferred skills
lead optimization, generative models, cross-functional leadership, strategic deployment of AI/ML
Technologies
docking, scoring, QSAR, FEP, MM-GBSA, deep learning, generative models
Responsibilities
Represent as subject matter expert for nonclinical R&D; Independently pursue research and implement novel computational workflows; Contribute to CADD and simulation techniques; Analyze and report research informatics data; Partner with medicinal chemistry on lead optimization (docking/scoring); Apply/develop data-mining tools for large datasets; Participate in data governance; Deliver to client needs and timeliness
Seniority
Senior, hands-on IC with strategic influence