Join our companies in their quest to drive powerful, positive, change that endures.

Senior / Principal Scientist Chemical Informatics and Machine Learning

Odyssey Therapeutics

Odyssey Therapeutics

Software Engineering, Other Engineering
Boston, MA, USA
Posted on Tuesday, February 6, 2024

About Us

Odyssey Therapeutics is propelling drug development beyond what is now possible to deliver medicines that address critical needs of patients with inflammatory diseases and cancer. We achieve unprecedented speed and efficiency by bringing together a target-centric approach, a toolbox of cutting-edge technologies, and a team of accomplished, world-class drug hunters. By reimagining the drug development process, we are creating a deep and broad drug pipeline that holds the potential to transform human health.

Position Details

Job Title: Senior / Principal Scientist Chemical Informatics and Machine Learning
Location: Boston, MA
Employment Type: Full-time
Department: Data Science

The Opportunity

Odyssey is on the hunt for a highly motivated expert with a deep background in chemical and biological data science and a strong interest in machine-learning. This role is central to merging the realms of drug discovery, advanced analytics, data-driven decision-making, and machine learning. The successful candidate will architect a cohesive data landscape and develop models correlating omics-style experimental data with protein and small molecule structure-function relationships. Partnering closely with IT and vendors, this role is crucial in reshaping how Odyssey leverages data and machine learning in drug development.

Key Responsibilities

  • Drive strategic implementation of chemical informatics and AI/ML techniques to expedite drug discovery guided by the needs of teams to advance Discovery assets to the clinic.
  • Champion the integration of chemical informatics with proteomic data, utilizing three-dimensional molecular modeling to elucidate precise mechanisms of protein-ligand interactions, critical for target validation and lead optimization.
  • Orchestrate the synthesis and analysis of multidimensional datasets, with a focus on integrating 3D structural insights with chemical properties to pioneer predictive models for molecular behavior and drug efficacy.
  • Develop and maintain cutting-edge frameworks for the semantic integration and intelligent retrieval of multidimensional chemical and biological data.
  • Facilitate and expand strategic partnerships with leading data vendors, academic pioneers, and technology innovators to advance Odyssey's capabilities in cheminformatics and computational drug discovery.
  • Act as a pivotal thought leader, demystifying the complexities of cheminformatics and machine learning for cross-functional teams, fostering a culture of innovation and knowledge sharing.

About You


  • 7-12 years of experience in data science with a focus on chemical, biological, and biomolecular applications in pharma/biotech
  • In-depth understanding of the drug discovery and development process, with an emphasis on the value of data and machine learning
  • Mastery over modern database architecture, AI/ML models, and machine learning methodologies pertinent to drug discovery
  • Exceptional ability to communicate and bridge the gap between data scientists, researchers, computational scientists, and leadership


  • Expert knowledge in cheminformatics, bioinformatics tools, platforms, and modern machine learning frameworks
  • Demonstrable prior success in leading successful drug discovery breakthroughs
  • Ability to write, test, and document code in a team development environment