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Computational ADMET Scientist - Drug Metabolism / Metabolomics Focus at Deep Origin. 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.. . 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.. . Company Location: United States.