Senior Principal AI​/ML Cheminformatics Scientist

Role Responsibilities

• Develop and deliver robust, validated AI and cheminformatics workflows/algorithms to support drug discovery.
• Design, build, and deploy cheminformatics and AI workflows for small‑molecule discovery (prioritized compound lists, chemical libraries, structure‑activity relationship analyses).
• Collaborate with medicinal chemists, biologists, and data scientists to integrate computational approaches into experimental/analytical workflows.
• Monitor emerging advances in AI/cheminformatics and lead adoption of promising methodologies (pilots, workshops/training).
• Develop novel algorithms and analytical strategies using proprietary datasets; deliver validated models, software tools, and contributions to literature/patents.

• Ph.D. or Master’s in Cheminformatics, Computational Chemistry, Bioinformatics, Data Science, or related field (required).
• 8+ years drug discovery experience in pharma/biotech.

• AI expertise for medicinal chemistry/cheminformatics: molecular representations, fingerprints, QSAR, generative models, transformer architectures, pretraining, property prediction, virtual screening, ADMET modeling.
• Strong Python proficiency; hands‑on with RDKit, Open Eye, Deep Chem, InChI, SMILES/SMARTS.
• Experience in structured software/data development environments (e.g., Git).
• Strong communication/collaboration; ability to manage multiple priorities.

• Relocation support available;
  
  Work location:
  
  Hybrid.
• Base salary: $124,400–$207,400; bonus target 17.5%; benefits include 401(k) with matching, retirement contribution, paid leave, and medical/dental/vision coverage.