Senior Computational Chemist - Oncology Targeted Discovery
Core
Senior Computational Chemist guiding high-impact oncology discovery programs using structure-based design, ligand-based approaches, and AI/ML to select targeted medicines.
Role type
Senior IC computational chemist (oncology)
Builds
Next generation of targeted medicines (small molecules, antibody–drug conjugates, bifunctional agents)
Domain
Oncology + Computational Chemistry / AI/ML
Deliverable
production ML models
Required skills
Quantum mechanics, molecular dynamics, structure-based drug design, ligand-based drug design, AI/ML software toolkits (RDKit, ChemProp, DeepChem, PyTorch, scikit-learn), hypothesis-driven design, SAR analysis, biophysical data integration
Preferred skills
Scientific publications, presentations, cross-functional collaboration
Technologies
RDKit, ChemProp, DeepChem, PyTorch, scikit-learn
Responsibilities
Generate testable design hypotheses integrating structural insights and biophysical data; Apply docking, pharmacophore modeling, and data-driven design to prioritize compounds; Build, validate, and deploy predictive models for high-throughput experiment design; Develop computational methods for antibody–drug conjugates and bifunctional agents; Partner with medicinal chemistry, biology, biophysics, and DMPK to align models with project goals; Present results to stakeholders and contribute to publications
Seniority
Senior, hands-on IC
