Senior Scientist I, Cheminformatics (AI/ML)

Location: Millbrae, California, United States; on-site role

Salary: $178,000–$215,250 per year, depending on skills, competency, and market demand.

Company

hirify.global Therapeutics is a biopharmaceutical company combining chemistry, engineering, computation, and biology to discover treatments for life-threatening diseases using real-time, molecular-resolution measurements of protein movement in living cells.

What you will do

• Develop and apply cheminformatics data-mining algorithms for molecular modeling, virtual screening, and structure-activity relationship analysis.
• Process chemical and biological datasets to evaluate drug-likeness, ADMET properties, dosing, and related compound characteristics.
• Use molecular fingerprints, descriptors, and similarity metrics for compound clustering, classification, and regression.
• Assist with the development, maintenance, and monitoring of AI/ML models for property prediction and optimize chemical-structure data pipelines using cheminformatics toolkits such as RDKit.
• Collaborate with computational chemists, medicinal chemists, software engineers, machine learning experts, and data scientists to integrate computational methods into chemistry and drug discovery workflows.
• Apply cheminformatics and AI/ML methods to library design, HTS dataset analysis, predictive modeling, SAR analysis, and emerging-hit triage.

Requirements

• Ph.D. plus 5 years of relevant experience; or Master’s plus 14 years; or Bachelor’s plus 16 years of relevant experience.
• Expertise in cheminformatics data analysis, data mining, and machine learning models for drug discovery problems.
• Expertise in ligand-based design, QSAR, multiparameter optimization, SAR rationalization, and novel molecule design.
• Expertise in Python and experience with RDKit, other cheminformatics libraries, and data analytics tools including Spotfire, DataWarrior, and D360.
• Experience with virtual screening, HTS triaging, hit calling, and diversity analysis.
• Familiarity with commercial platforms and ELN/registration systems including Schrödinger, OpenEye, MOE, Dotmatics, DataBricks, and KNIME.
• A track record of publications, patents, and/or conference presentations in computational chemistry and/or drug discovery.
• Excellent problem-solving abilities and the ability to work in a fast-paced, dynamic research environment.
• Strong communication skills, including the ability to convey complex scientific concepts to technical and non-technical stakeholders.

Culture & Benefits

• Collaborative, cross-functional drug discovery environment focused on data-driven and creative problem solving.
• 401(k) plan with company matching.
• Medical, dental, and vision insurance, with stated premium coverage from hirify.global.
• Mental health and wellness benefits, generous paid time off, holiday policies, and weeklong summer and winter shutdowns.
• Enhanced parental leave, life and AD&D insurance, and optional supplemental employee-paid coverage.
• Daily subsidized lunch program when working on-site; bonus and equity compensation are also included.