Research Scientist- Cheminformatics

Overview

Cali
-Skaggs Institute for Innovative Medicines was founded on the principle that the creation of new medicines can be accelerated by pairing world-class biomedical research with state-of-the-art drug discovery and development capabilities. Cali
-Skaggs is a division of Scripps Research, a nonprofit translational research institute dedicated to creating the next generation of medicines. Cali
-Skaggs’ drug development portfolio spans a broad range of human diseases, including cancer, autoimmunity and inflammatory diseases, metabolic and cardiovascular diseases, infectious and neglected tropical diseases, as well as age-related and degenerative diseases. If you have a passion for making a difference, this could be your opportunity to join our transformative team.

POSITION TITLE: RESEARCH SCIENTIST – Cheminformatics

POSITION SUMMARY:

The Computational Chemistry team is seeking a Cheminformatician who will be responsible for developing and applying advanced computational methods across the drug discovery pipeline. This role involves a significant focus on machine learning techniques to analyze and interpret complex chemical data.

• Data Analysis and Modeling
  :
  Build, test, and optimize machine learning models for the analysis of large chemical datasets. Develop QSAR/ML models for predicting bioactivity, pharmacokinetic, and ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) profiles; large-language models (LLMs) for querying drug information across mechanism of action, target, disease indication, patent information, and screening data; and generative AI models for drug design and lead optimization.
• Algorithm Development
  :
  Design and develop algorithms and tools for chemical structure representation, searching, and clustering for SAR analysis and identification of novel chemical space for drug and library design as part of the medicinal chemistry team.
• Collaboration
  :
  Work closely with interdisciplinary teams including medicinal chemists, biologists, and computational scientists to apply and integrate cheminformatics tools into drug discovery programs.
• Data Management
  :
  Manage chemical databases, ensuring data integrity, quality, and accessibility. Develop tools for data mining and visualization.
• Details of established essential functions for this position will be addressed/discussed during the interview process.

• BS, MS, or PhD in Computer Science, Data Science, Computational Chemistry, Bioinformatics, or a related field
• Minimum of 1 year of research experience
• Background in machine learning, data science, and statistical analysis
• Strong proficiency in Python (additional SQL and/or JavaScript experience preferred) and its data analysis libraries (e.g. Pandas, Num Py, scikit-learn)
• Experience with cheminformatics toolkits and software (e.g. RDKit, Schrodinger Maestro, PyMOL) preferred
• Organic chemistry and/or biochemistry coursework experience preferred
• Excellent oral and written communication skills
• Ability to work independently and as part of a team

May include: stationary position for an extended period of time, traverse campus/facility as needed, operate machinery such as computer, phone, copy machine; exposure to cold or hot temperatures. Further details of the physical requirements of established essential functions for this position will be addressed/discussed during the interview process.

La Jolla, California

The expected hiring range for this position is $80,000 to $90,000 per year, commensurate with experience. Consideration will be given to experience that exceeds the listed requirements.

• Employer Contributed Retirement Plan - Depending on eligibility, employees receive an employer contributed retirement plan (no employee contribution required) and the option to contribute to a 403(b) using pre or post-tax dollars.
• Full suite of Health and Welfare plans including four medical plan options (including an HSA available option), dental, vision, life insurance, disability, EAP and more.
• Access to Flexible Spending Accounts (Medical/Dependent Care).
• Competitive vacation and sick leave…