Senior Principal Research Scientist, Computational Chemistry

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Job Summary

About IDEAYA Biosciences: IDEAYA is a precision medicine oncology company committed to the discovery, development, and commercialization of transformative therapies for cancer. Our approach integrates expertise in small-molecule drug discovery, structural biology and bioinformatics with robust internal capabilities in identifying and validating translational biomarkers to develop tailored, potentially first-in-class targeted therapies aligned to the genetic drivers of disease. We have built a deep pipeline of product candidates focused on synthetic lethality and antibody-drug conjugates, or ADCs, for molecularly defined solid tumor indications.

Our mission is to bring forth the next wave of precision oncology therapies that are more selective, more effective, and deeply personalized with the goal of altering the course of disease and improving clinical outcomes for patients with cancer.

When you're at IDEAYA, you will be in the midst of brilliant minds working on precision medicine therapies to help cancer patients. We are passionate and committed about being on the forefront of oncology medicine, which means we all have a high internal drive that is at the very core of every person  are inquisitive, ask deep questions, and are data-driven innovators who like to collaborate and use team work to move science forward.

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Location:

South San Francisco, CA.

We are seeking an accomplished Senior Principal Research Scientist in Computational Chemistry with significant pharmaceutical industry experience to join our multidisciplinary small molecule drug discovery organization. This is a senior individual contributor role for a highly experienced computational chemist with a strong track record of advancing pharmaceutical discovery programs through hands-on scientific impact.

The successful candidate will support discovery project teams across target identification, hit discovery, lead optimization, and drug candidate selection. The role requires a high degree of independence, technical depth, and scientific judgment. The candidate will apply modern computational chemistry approaches to directly inform medicinal chemistry design and project decision-making. We are looking for a creative, detail-oriented scientist with a passion for drug discovery and a collaborative mindset.

As part of the drug discovery team, the candidate will contribute directly to target assessment and druggability analysis, perform virtual screening and structure-based modeling, and work closely with medicinal chemists to design compounds with improved potency, selectivity, functional activity, and develop ability (e.g., ADME/DMPK). In addition to hands-on contributions, the candidate will mentor other scientists and share best practices to amplify the impact of computational chemistry across project teams.

This position is based in our South San Francisco headquarter office and required to be onsite four days per week per our company policy.

Reporting to:
Director & Head of Computational Chemistry

• Lead structure-based drug design meetings with medicinal chemists and provide senior-level, hands-on drug design and computational chemistry support to small molecule drug discovery project teams
• Contribute to programs from target identification through lead optimization and drug candidate selection
• Apply structure-, ligand-, and fragment-based modeling to guide medicinal chemistry design
• Use molecular dynamics, free energy methods, quantum chemistry, and cheminformatics to address complex design and prioritization questions
• Translate computational analyses into clear, actionable compound design recommendations
• Serve as a highly experienced computational contributor and scientific advisor within project teams
• Mentor and coach other scientists in structure-based drug design through technical guidance and scientific discussion
• Evaluate new computational methods, tools, and workflows and apply them when they add clear value
• Maintain scientific rigor, reproducibility, and best practices in an industry drug discovery environment

Requirements

• PhD in…