Principal Scientist - Predictive Molecule Design
Core
Lead computational design of small molecules for drug discovery by integrating structure-based and data-driven approaches to generate actionable molecular designs.
Role type
Principal Scientist (Computational Chemistry/Cheminformatics/ML)
Builds
Predictive models, cheminformatics workflows, and structural models for small molecule discovery programs.
Domain
Pharmaceutical / Drug Discovery / Computational Chemistry
Deliverable
production ML models
Required skills
computational chemistry, cheminformatics, machine learning, structure-based drug design, multi-parameter optimization, ADME prediction, toxicological risk assessment, data curation, scientific leadership, mentoring
Preferred skills
experience with covalent/non-covalent inhibitors, allosteric modulators, targeted protein degraders, antibodies, antibody-drug conjugates, cryo-EM, co-crystal structures
Technologies
Python, R, molecular modeling software, cheminformatics toolkits, ML frameworks, visualization tools
Responsibilities
Design and triage chemical matter to advance potency, selectivity, and ADME properties; develop and deploy predictive models and workflows; integrate structural data with large-scale analysis; curate data resources and tooling; provide scientific leadership on emerging technologies; mentor colleagues and drive scientific visibility.
Seniority
Principal, hands-on IC with strategic leadership
