SystImmune · 5 months ago
Scientist/Senior Scientist – AI Small Molecule Drug Design
Redmond, WA
Full-time
Onsite
Senior Level
$150K/yr - $250K/yr
5+ years expSystImmune is a leading and well-funded clinical-stage biopharmaceutical company specializing in innovative cancer treatments. They are seeking an AI Scientist or Senior Scientist to contribute to AI-driven small molecule drug design efforts, focusing on using computational methods and machine learning to discover and design therapeutic drugs.
BiopharmaBiotechnologyProfessional Services
Responsibilities
Develop and optimize AI-driven small molecule drug design pipelines to predict molecular properties, perform virtual screening, and improve drug-like characteristics
Utilize advanced AI methods such as generative modeling (e.g., DiffDock, ProteinMPNN), deep learning, and reinforcement learning to generate novel small molecules and predict their interactions
Implement AI-based molecular docking methods (e.g., DiffDock) to improve binding affinity predictions, optimize lead compounds, and enhance virtual screening efficiency
Collaborate with cross-functional teams, including medicinal chemistry, biology, and computational biology, to integrate AI methods into drug discovery workflows, ensuring a seamless transition from computational design to experimental validation
Lead AI-driven efforts in drug manufacturing, optimizing small molecule synthesis routes, yield predictions, and manufacturability profiles of novel drug candidates
Apply virtual screening techniques using AI models to explore vast chemical spaces, prioritize compound libraries, and identify promising lead candidates for various therapeutic targets
Analyze and interpret computational data to guide decision-making in the drug design process, focusing on optimizing molecular properties such as pharmacokinetics, toxicity, and efficacy
Contribute to the development of AI-based software tools and platforms for drug design and analysis, ensuring that solutions are scalable and user-friendly for cross-disciplinary teams
Generate insights from large-scale chemical and biological datasets, identifying key relationships and optimizing drug candidates for efficacy, safety, and pharmacokinetics
Contribute to the development and deployment of software tools and platforms that enable AI-based drug design and analysis
Stay updated on the latest advancements in AI and computational chemistry, especially in areas like AI small molecule generation, molecular docking, and virtual screening, and apply state-of-the-art methods to improve drug discovery processes
Qualification
Required
Ph.D. or equivalent in Computational Chemistry, Bioinformatics, Biophysics, Machine Learning, or a related field
5+ years of experience applying computational methods and AI to small molecule drug design or a related field, with specific experience in AI small molecule generation, AI molecular docking, virtual screening, and drug manufacturing
Strong background in machine learning techniques (e.g., deep learning, generative models, reinforcement learning) and their application to drug discovery
Expertise in molecular modeling and drug design software (e.g., AutoDock, Schrodinger, Open Babel, or other relevant tools)
Proficiency in programming languages such as Python, R, or C++, and experience with machine learning frameworks (e.g., TensorFlow, PyTorch)
Experience in analyzing large-scale datasets, including molecular databases (e.g., ChEMBL, PubChem) and performing virtual screening
Proven track record in applying computational chemistry and machine learning to solve real-world drug discovery challenges
Excellent communication skills with the ability to present complex data to both technical and non-technical stakeholders
Preferred
Familiarity with drug-likeness, ADMET (absorption, distribution, metabolism, excretion, toxicity) properties, and structure-activity relationships (SAR)
Experience working with AI models in the context of generative chemistry or reinforcement learning for drug design
Contributions to AI-driven drug discovery publications and conference presentations
Knowledge of biological data integration, such as combining genomic, proteomic, or transcriptomic data with drug discovery
Benefits
Comprehensive benefits package
Company
SystImmune
SystImmune is a biotechnology company.
51-200 employees
H1B Sponsorship
SystImmune has a track record of offering H1B sponsorships. Please note that this does not
guarantee sponsorship for this specific role. Below presents additional info for your
reference. (Data Powered by US Department of Labor)
Distribution of Different Job Fields Receiving Sponsorship
Represents job field similar to this job
Trends of Total Sponsorships
2025 (14)
2023 (1)
2022 (2)
2021 (2)
2020 (1)
Funding
Current Stage
Growth StageLeadership Team
Martin S. Olivo, MD, MSc,
Chief Medical Officer
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