Senior Scientist I-II, ML Molecular Optimization

AbbVie seeks a Senior Scientist to develop and deploy machine learning models for molecular optimization in drug discovery. The role involves collaborating with chemistry and biology teams to build predictive models for binding affinity and pharmacological properties, then communicate results to guide small molecule optimization.

Responsibilities

• Work with project teams to establish quantitative targets for molecular optimization
• Develop and benchmark predictive models for binding affinity and pharmacological properties
• Select and validate appropriate models using data-driven approaches accounting for uncertainty
• Communicate model selection rationale and suitability to project teams
• Deploy models to ensure accessibility and facilitate collaborative optimization efforts

Requirements

• Degree in chemistry, computer science, machine learning, cheminformatics, or chemical engineering
• 10+ years (BS), 8+ years (MS), or 0+ years (PhD) developing ML models on chemical/biological data
• Expertise in ML/deep learning implementation, deployment, and cheminformatics tools
• Proficiency in Python, numpy, pandas, scikit-learn, and cloud computing platforms
• Knowledge of GNN, CNN, RNN, Transformer, GCNN, MPNN, generative models, and active learning
• Strong analytical and problem-solving skills with ability to communicate complex concepts clearly