Job Description

Scientist / Senior Scientist, Cheminformatics

June 19, 2019

Frontier Medicines, located in South San Francisco, CA, is a pre-clinical stage biopharmaceutical company that is pioneering breakthrough technologies to drug the “undruggable” proteome. Frontier Medicines’ proprietary platform uses chemoproteomics – an innovative approach to chemically interrogate proteins in living systems – to discover and pharmacologically target new binding pockets (or hotspots) on proteins for the purpose of making them accessible to therapeutic intervention.

Frontier Medicines is seeking a highly motivated individual to fill the position of Scientist / Senior Scientist Cheminformatics to join our newly forming Data Sciences team. The successful candidate will play a leading role developing algorithms that guide the library design of our proprietary small molecule library for Frontier’s Chemproteomics pipeline. He/she will also be interacting with drug discovery teams and build workflows that support compound prioritization and experimental result interpretation to drive project teams forward. As a machine learning expert, the successful candidate will also design algorithms leveraging the wealth of Frontier Medicines internal databases with unique experimental data to understand biology and identify areas of opportunity for disease intervention. This is an opportunity to join and work in a highly collaborative and energetic team in a startup environment with short communication lines across functions and departments. The computational chemist will report directly to the CTO and is located in South San Francisco.

Key Responsibilities

  • Design and build cheminformatics and machine learning based workflows to guide small molecule library design.
  • Develop advanced analytics-based workflows to help analyze experimental results from drug discovery team data and give strategic input to optimization strategies.
  • Stay on top of latest developments in the field of machine learning and cheminformatics and lead the internalization of promising approaches.
  • Be a valuable analytics partner for our drug discovery project teams.
  • Communicate results, hypotheses and suggestions in a clear manner in written and oral form.


  • Ph.D. in a Computational Science (cheminformatics, computer science, computational chemistry, computational biology or related discipline), with or without relevant post-graduate experience.
  • Expert level experience with at least one scripting/programming and analytics language (Python, Scala, Java, R or similar).
  • Solid statistics training and experience in advanced analytics and Data Science methods (random forest, clustering, neural networks and deep learning, Bayesian classifications, anomaly detection, dimensionality reduction and etc.) is required.
  • Experience with Pipelining workflow tools is preferred (Knime, Pipeline Pilot, Alteryx, RapidMiner and etc.).
  • Excellent writing and verbal skills are required.
  • Legally authorized to work in the US.

To apply, please send your resume to