Scientist, Molecular Design

Position Summary: Terray is currently seeking a motivated, creative, and experienced scientist to join our Molecular Design group within the Computational and Data Sciences (CDS) team. The candidate will design combinatorial libraries for our platform and contribute to hit-to-lead and lead optimization efforts across multiple drug discovery programs. In this interdisciplinary role, the candidate will work closely with the chemistry and biology functions at Terray, as well as the machine learning, data science, and software teams within CDS.

The core responsibilities of this position are: 

• Design focus libraries and productionize library design methods that use our proprietary ML models and other computational tools 
• Develop metrics to assess and improve library designs 
• Extract insights from our ultra-large proprietary screening datasets in collaboration with data scientists and cheminformaticians 
• Contribute to the design of small molecules with in-house, high-throughput computational tools using both structure-based and ligand-based models 
• Communicate molecular design strategy and outcomes to teams across the company
  
  

Experience and Qualifications: Part of Terray’s success is nurtured by a hands-on work environment where everyone is accountable, vested in a vision of excellence, and actively taking part in the success of the business. Terray supports a positive work environment where employees can feel engaged, recognized and empowered to be creative. 

Required Qualifications: 

• BS/MS/Ph.D in computational, organic, or medicinal chemistry, or a related field 
• Experience designing small-molecule libraries for virtual screens, DEL screens, and/or HTS  
• Experience triaging large data sets from virtual screens, DEL screens, and/or HTS 
• Proficient in Python and the PyData stack (numpy, pandas, scipy, scikit-learn, etc.) 
• Familiar with ligand-based and structure-based methods to designing small molecules for drug discovery projects 
• Experience with RDKit, and familiarity with molecular simulation suites (Schrodinger, MOE, etc.) and docking programs (AutoDock Vina, rDock, etc.)