Computational ADMET Scientist - Drug Metabolism / Metabolomics Focus

About Deep Origin
Deep Origin is a biotechnology company accelerating drug discovery through AI-powered tools. Our platforms simplify R&D, simulate biology, and empower scientists to solve diseases and extend human healthspan through software solutions and partnerships. We combine cutting-edge computational science with deep biological expertise to tackle some of the most pressing challenges in healthcare.

Role Description
We are seeking a Computational ADMET Scientist with deep expertise in drug metabolism to design and build predictive systems for Phase I and Phase II metabolic pathways. Your work will directly contribute to the development of AI-driven tools that predict metabolic routes, enzyme/isoform involvement, sites of metabolism, regioselectivity, and metabolite toxicity—helping accelerate safe and effective drug design.

This position calls for a creative scientist who thrives at the intersection of data mining, statistical and kinetic modeling as well as cheminformatics, machine learning and computational chemistry.

Applicants must be authorized to work for any employer in the U.S. We are unable to sponsor or take over sponsorship of an employment Visa at this time.

Requirements

• PhD (0-2 years) or MS (2-5 years) of relevant experience in Bioinformatics, Systems Biology, Computational Chemistry, or related field;
• Strong coding skills in Python (additional languages a plus);
• Proven expertise in drug metabolism, with demonstrable experience in metabolism prediction;
• Hands-on experience with cheminformatics and ML libraries such as RDKit, CDK, PyTorch, TensorFlow;
• Ability to critically analyze data and translate findings into actionable predictions and computational models;
• Collaborative mindset, comfortable working in both autonomous and team-based settings;
• Adaptability to thrive in a fast-paced, deadline-driven environment.

Nice-to-have:

• Familiarity with PBPK (Physiologically-Based Pharmacokinetic) modeling;
• Prior pharmaceutical or biotech industry experience.

Key Responsibilities:

• Develop and refine computational approaches to predict Phase I and Phase II metabolic transformations with high sensitivity and precision;
• Build and optimize algorithms to identify sites of metabolism and predict regioselectivity;
• Predict enzymes and related isoforms responsible for a given chemotype;
• Assess toxicological profiles of metabolites;
• Integrate diverse datasets (experimental and computational) for improved prediction accuracy;
• Collaborate across a cross-functional scientific team;
• Document methods and contribute to technology commercialization;
• Contribute novel ideas to the team;
• Show a high work ethic within the autonomous remote framework.

Why Join Us?

• Work on impactful problems at the frontier of AI + chemistry + biology;
• Collaborate with multidisciplinary teams of scientists;
• Shape next-generation tools for predictive drug discovery.