PKPD Modelling Lead, London

London, United Kingdom
Last month
Seniority
Lead
Posted
7 Apr 2026 (Last month)

Isomorphic Labs is applying frontier AI to help unlock deeper scientific insights, faster breakthroughs, and life-changing medicines with an ambition to solve all disease.

The future is coming. A future enabled and enriched by the incredible power of machine learning. A future in which diseases are curtailed or cured starting with better and faster drug discovery.

Come and be part of an interdisciplinary team driving groundbreaking innovation and play a meaningful role in contributing towards us achieving our ambitious goals, while being a part of an inspiring and collaborative culture.

The world we want tomorrow is the one we’re building today. It starts with the culture at this company. It starts with you.

About Iso

Isomorphic Labs (IsoLabs) was launched in 2021 to advance human health by building on and beyond the Nobel-winning AlphaFold system. Since then, our interdisciplinary team of drug discovery experts and machine learning specialists has built powerful new predictive and generative AI models that accelerate scientific discovery at digital speed.

Our name comes from the belief that there is an underlying symmetry between biology and information science. By harnessing AI’s powerful capabilities, we can use it to model complex biological phenomena to help design novel molecules, anticipate how drugs will perform and develop innovative medicines to treat and cure some of the world’s most devastating diseases.

We have built a world-leading drug design engine comprising AI models that are capable of working across multiple therapeutic areas and drug modalities. We are continually innovating on model architecture and developing cutting-edge capabilities to advance rational drug design.

Every day, and with each new breakthrough, we’re getting closer to the promise of digital biology, and achieving our ambitious mission to one day solve all disease with the help of AI.

Your impact

As the PKPD Lead, you will develop the quantitative pharmacology strategy of drug discovery projects to deliver high quality clinical candidates, whilst using and contributing to the optimisation of state-of-the-art computational and AI drug design models. As part of the DMPK and Quantitative Pharmacology team, you will champion the use of model-informed drug discovery and development on both small molecule and biologics projects. You will work closely with the Biologics Discovery team to further develop AI models for biologics developability.

If you are an experienced and ambitious scientist looking to play an active part in the AI-driven transformation of the pharmaceutical industry, joining Isomorphic Labs will lift you out of your comfort zone and provide an amazing opportunity for personal growth and development.

What you will do

PKPD Lead

  • Design and implement quantitative pharmacology strategies with an AI-first approach, from target identification to pre-clinical development.
  • Provide scientific leadership and integrate PK and quantitative pharmacology strategies for biologics projects, within the broader project strategy. As a member of the project core team, you will collaborate closely with colleagues in Drug Design, Pharmacology, ML Engineering, and Preclinical and Clinical Development to resolve PK and PD challenges.
  • Develop advanced PKPD models for biologics and small molecule projects in collaboration with the DMPK and Pharmacology Leads.
  • Contribute to the choice of modality that is the most appropriate for each target. Develop the target molecule profile at the inception of the project.
  • Integrate PK, PD and toxicological data to extract decision-making information through mechanistic and empirical models, including dose and safety margin predictions for biologics projects.
  • Author PKPD sections of regulatory documents.

ML interactions

  • Partner with Machine Learning colleagues to integrate PK and PD aspects of the drug design platform and identify, generate and analyse data from which to develop and improve predictive models.
  • Identify state-of-the-art integration methods that could bring transformational benefits to our platform or ways of working.
  • Support the development of the biologics developability platform by identifying high-throughput techniques to predict the PK behaviour of various biologics formats.

CRO interactions

  • Since IsomorphicLabs outsource all wet-lab work to external vendors, you will maintain and develop close relationships with the CRO network to:
    • Ensure high quality and timely data generation to support our portfolio projects.
    • Leverage the scientific expertise of our external collaborators to enhance the team's impact.
    • Oversee the delivery of data generation campaigns purposefully designed to support the development of AI-based developability models.

People

  • Mentor junior members of the DMPK and Quantitative Pharmacology team.
  • Embrace and champion a culture of inclusion and continuous professional development.

Skills and qualifications

Essential:

  • PhD in either Pharmaceutical Science, Pharmacy, or Chemistry or another relevant subject.
  • 3+ years of related experience in the pharmaceutical industry.
  • Experience as a PKPD Lead, solving PKPD-related problems in biologics projects with a track record of working collaboratively to deliver high quality candidates.
  • Practical experience developing high quality quantitative pharmacology packages to support early clinical development, including authoring and reviewing regulatory documents, ideally in oncology.
  • Advanced knowledge of PK and PKPD modelling for biologics.

Nice to have:

  • Good understanding of machine learning techniques.
  • Familiarity with Python and KNIME.


Culture and values

We are guided by our shared values. It's not about finding people who think and act in the same way. These values help to guide our work and will continue to strengthen it.

Thoughtful
Thoughtful at Iso is about curiosity, creativity and care. It is about good people doing good, rigorous and future-making science every single day.

Brave
Brave at Iso is about fearlessness, but it’s also about initiative and integrity. The scale of the challenge demands nothing less.

Determined
Determined at Iso is the way we pursue our goal. It’s a confidence in our hypothesis, as well as the urgency and agility needed to deliver on it. Because disease won’t wait, so neither should we.

Together
Together at Iso is about connection, collaboration across fields and catalytic relationships. It’s knowing that transformation is a group project, and remembering that what we’re doing will have a real impact on real people everywhere.


Creating an extraordinary company

We believe that to be successful we need a team with a range of skills and talents. We're building an environment where collaboration is fundamental, learning is shared and every employee feels supported and able to thrive. We value unique experiences, knowledge, backgrounds, and perspectives, and harness these qualities to create extraordinary impact.

We are committed to equal employment opportunities regardless of sex, race, religion or belief, ethnic or national origin, disability, age, citizenship, marital, domestic or civil partnership status, sexual orientation, gender identity, pregnancy or related condition (including breastfeeding) or any other basis protected by applicable law. If you have a disability or additional need that requires accommodation, please do not hesitate to let us know.


Hybrid working

It’s hugely important for us to share knowledge and build strong relationships with each other, and we find it easier to do this if we spend time together in person. This is why we follow a hybrid model, andwould require you to be able to come into the office 3 days a week (currently Tuesday, Wednesday, and one other day depending on which team you’re in). If you have additional needs that would prevent you from following this hybrid approach, we’d be happy to talk through these if you’re selected for an initial screening call.

Please note that when you submit an application, your data will be processed in line with our privacy policy.


>> Click to view other open roles at Isomorphic Labs

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