Principal Scientist - Predictive Molecule Design
Core
Principal Scientist leading computational chemistry, cheminformatics, and machine learning to generate actionable molecular designs for small molecule drug discovery programs.
Role type
Principal Scientist (Computational Chemistry & Cheminformatics)
Builds
Predictive models, cheminformatics workflows, and structural models for drug discovery
Domain
Pharmaceutical / Small Molecule Drug Discovery
Deliverable
production ML models
Required skills
computational chemistry, cheminformatics, machine learning, structure-based drug design, multi-parameter optimization, medicinal chemistry principles, data analysis, visualization
Preferred skills
experience with co-crystal structures, cryo-EM, diverse therapeutic modalities (covalent/non-covalent inhibitors, degraders, ADCs), publications in peer-reviewed journals
Technologies
computational modeling, AI/ML, data analytics, optimization methods
Responsibilities
Design and triage chemical matter to advance potency, selectivity, and ADME properties; develop and deploy predictive models and workflows; integrate structural information with large-scale data analysis; curate chemical and biological data resources; provide scientific leadership on emerging technologies; mentor colleagues and drive scientific visibility
Seniority
Principal, hands-on IC with strategic leadership
