Qualifications
Your ResponsibilitiesEnhancement of ChemML Platform:Utilize leading ADMET/In Vivo PK datasets to develop and refine foundational chemistry AI models.Create innovative small molecule generative AI and enumeration methodologies utilizing our ADMET/affinity models for multi-parameter optimization (MPO).Collaborate with software engineering teams to establish robust pipelines for active/iterative learning and automated DMTL cycles.Directly influence the strategic direction for the evolution of our ChemML platform.Integration of AI in Small Molecule Discovery:Work cross-functionally with machine learning scientists, medicinal chemists, and computational chemists to design and prioritize innovative compounds using model outputs.Implement predictive models and AI-driven design methodologies to tackle real molecular optimization challenges across various therapeutic areas.Monitor the performance of our binding affinity, selectivity, and ADMET/PK models on discovery programs, translating insights into actionable model enhancements.Effectively communicate model capabilities, results, limitations, and actionable recommendations to diverse stakeholders.
About the job
Join Our Mission
At insitro, we are at the forefront of transforming drug development through the power of machine learning. Our pioneering ChemML Platform leverages advanced AI techniques to expedite small molecule discovery, from initial hit identification to lead optimization. By utilizing some of the most extensive datasets in the industry, we are able to design innovative drugs targeting novel AI-derived compounds swiftly.
Billions of proprietary binding affinity measurements
Hundreds of thousands of ADMET and In Vivo PK measurements
Experimental data generated through our AI-driven DMTL optimization cycles
We are seeking an Applied Machine Learning Scientist who will actively engage with our ChemML platform to drive design across various therapeutic programs. This is a unique opportunity to apply cutting-edge machine learning techniques to make a tangible impact in drug discovery. The role reports to the Senior Manager, Molecular Machine Learning and offers a flexible hybrid work model (2 days in the office per week) or remote work arrangement (1 week in-office per quarter).
About insitro
insitro is revolutionizing drug development through advanced machine learning and data science. Our commitment to innovation is reflected in our unique ChemML Platform, which harnesses the power of AI to drive rapid drug discovery.
