Principal ML/AI Cheminformatics Scientist
Core
Develop, deploy, and improve machine learning models for molecular property prediction to enable compound prioritization and ADME property prediction in small-molecule drug discovery.
Role type
Principal ML/AI Cheminformatics Scientist
Builds
Robust computational models, validated workflows, prioritized compound lists, and chemical libraries for hit-to-lead and lead optimization.
Domain
Pharmaceutical R&D, Cheminformatics, Drug Discovery
Deliverable
production ML models
Required skills
AI methods for medicinal chemistry, molecular representations, chemical fingerprints, generative models, transformer architectures, pretraining strategies, property prediction, virtual screening, ADMET modeling, Python, cheminformatics libraries (RDKit, OpenEye, DeepChem, InChI, SMILES/SMARTS)
Preferred skills
None stated
Technologies
RDKit, OpenEye, DeepChem, InChI, SMILES, SMARTS
Responsibilities
Develop and deliver robust AI-driven workflows and algorithms for drug discovery; Design and deploy innovative cheminformatics and AI workflows; Collaborate with medicinal chemists and biologists to integrate computational approaches; Monitor emerging advances in AI and cheminformatics; Develop novel algorithms tailored to proprietary datasets.
Seniority
Principal, hands-on IC with strategic adoption leadership
