Your Impact at LILA

The Scientist I/II, Organic Chemistry will develop, execute, and optimize modern chemical transformations that support Discovery Chemistry efforts across Lila’s platform, with a focus on the rapid synthesis of small molecules and structurally diverse chemical matter. This role is intended for an experimental organic chemist who combines strong foundations in synthetic chemistry with hands-on experience in high-throughput experimentation (HTE), reaction workup, and analytical characterization.

Working closely with Discovery Chemistry, analytical chemistry, automation, screening, and AI/computational teams, this scientist will help build and apply efficient chemistry workflows that accelerate molecular design–make–test–analyze cycles. The Scientist II will contribute to reaction development, analog generation, and route execution using modern organic chemistry approaches that are compatible with scalable, data-rich, and increasingly automated discovery environments.

This role is ideal for a chemist excited by solving synthetic problems at the interface of reaction innovation, high-throughput experimentation, process efficiency, and analytical insight, and who is motivated to help shape next-generation discovery workflows beyond traditional bench chemistry.

What You'll Be Building

• Design, execute, and optimize chemical transformations relevant to Discovery Chemistry programs, with emphasis on the rapid synthesis of small molecules and analog series.
• Apply modern synthetic organic chemistry to enable efficient exploration of structurally diverse and medicinally relevant chemical space.
• Plan and perform multi-step synthesis, reaction optimization, workup, purification, and compound characterization in support of molecular discovery campaigns.
• Design and execute HTE workflows for reaction screening, condition optimization, reagent evaluation, and rapid assessment of transformation scope.
• Develop robust approaches for reaction setup, reaction workup, sample preparation, and analytical readout to support fast and information-rich experimentation.
• Use analytical tools such as chromatography, NMR, and related methods to assess reaction performance, characterize products, and guide synthetic decisions.
• Contribute to the development of practical and scalable chemistry workflows that integrate reaction discovery, reaction optimization, and downstream compound generation.
• Partner closely with Discovery Chemistry scientists to translate molecular design concepts into executable synthetic strategies and experimentally tractable reaction plans.
• Collaborate with analytical chemistry and automation teams to build workflows that connect reaction execution with streamlined workup, purification, and data generation.
• Support the adaptation of synthetic workflows to parallel, automated, or robotics-enabled platforms where appropriate.
• Interpret reaction and analytical data rigorously, identify bottlenecks, and propose solutions to improve efficiency, robustness, and reproducibility.

What You’ll Need to Succeed

• PhD in Organic Chemistry, Medicinal Chemistry, or a closely related discipline with relevant postdoctoral and/or industry experience.
• Strong expertise in synthetic organic chemistry, including design and execution of multi-step synthesis and development of chemical transformations relevant to small molecule discovery.
• Hands-on experience with HTE for reaction screening, optimization, or scope evaluation.
• Experience with reaction workup, sample preparation, purification, and analytical characterization in fast-paced synthetic workflows.
• Strong working knowledge of analytical methods commonly used to support organic synthesis.
• Demonstrated ability to troubleshoot challenging reactions and independently solve synthetic and experimental problems.
• Strong understanding of how reaction design, execution, workup, and analysis fit together in efficient discovery workflows.
• Ability to work effectively in interdisciplinary environments spanning chemistry, analytics, automation, and computational sciences.
• Strong organizational, documentation, and communication skills, with commitment to scientific rigor and reproducibility.

Bonus Points For

• Experience supporting Discovery Chemistry or medicinal chemistry programs in biotech, pharma, or advanced research environments.
• Familiarity with modern reaction classes relevant to small molecule discovery, including coupling chemistry, heterocycle synthesis, late-stage functionalization, and rapid analog generation.
• Experience with parallel synthesis or robotics-enabled chemistry workflows.
• Exposure to data-rich, AI-enabled, or platform-based R&D environments.
• Collaborative mindset and enthusiasm for building modern chemistry capabilities that go beyond traditional bench-scale synthesis.

About the Computational Drug Design Team

We are building a dynamic team of Computational Chemists in Cambridge, MA within the Drug Design and Medical Research function. We drive the computational chemistry strategy for our internal portfolio and collaboration projects. Crucially, we partner closely with our AI/ML colleagues, using our domain expertise to augment the Isomorphic Labs Drug Design Engine and leverage its power to accelerate drug design. We foster a supportive, learning-focused environment where every member is valued, and continuous professional development is a priority.

Your Impact

As part of our expansion to Cambridge, MA, we are seeking an experienced and strategic Head of Computational Drug Design to join our foundational Drug Design team. This is a pivotal role for a motivated scientific leader eager to shape the future of drug discovery at the intersection of computational chemistry and artificial intelligence. This role requires a unique blend of deep scientific expertise and the ability to lead both technical projects and high-performing teams, whilst contributing to or leading active drug discovery programs.

You will provide scientific leadership and strategic direction for the Computational Drug Design team, responsible for delivery and guidance of projects to clinical candidate nomination. Additionally, you will oversee and mentor a team of talented Computational Drug Designers, fostering their scientific growth and career development. Working alongside world-leading AI Scientists, you will play a critical role in establishing principles for embedding AI/ML into modern computational chemistry workflows, ensuring seamless integration across ML, Biology, and Chemistry teams.  You will partner with our Head of Chemistry, Drug Design to champion the drug discovery pipeline, overseeing external collaborations (with CROs) and lead programs to deliver critical go/no-go milestones. Critical to this role will be the ability to build highly effective and efficient connectivity with Medicinal Chemistry, Biology and Pre-Clinical Development teams to accelerate pace to the clinic. If you are a skilled Computational Chemist with leadership experience and a passion for applying cutting-edge technology to complex scientific challenges, this role offers an unparalleled opportunity for impact and growth.

What you will do 

• Apply your knowledge and track record of modern drug design and discovery principles to deliver our Drug Design portfolio. 
• Provide direct line management for a growing team of Computational Chemists. Set clear goals, provide regular feedback, support their professional development, and foster a collaborative and high-performance team environment.
• Provide strategic input and technical direction to our AI/ML platform teams. 
• Collaborate both internally and with third party organisations, interacting within multidisciplinary teams, to support data-driven delivery of high quality scientific solutions to complex technical problems. 
• Represent the company externally, interacting with existing and prospective collaborators and Contract Research Organizations (CROs). 
• Prepare detailed scientific proposals and reports to support new and ongoing programs. 
• Embrace and champion our culture of inclusion and continuous professional development.

Skills and Qualifications

Essential:

• PhD in Computational Chemistry, Medicinal Chemistry, Synthetic Chemistry, or a related scientific field, or equivalent industrial experience.
• Solid foundation in computational chemistry with a minimum of 10+ years previous industrial experience within a pharma/biotech/CRO setting.
• Proven experience leading computational chemistry strategy and execution for multiple drug discovery programs and target classes, and managing high-performing scientific teams.
• Prior experience of leading drug discovery programs, from hit finding to lead optimisation and candidate selection.
• Strong expertise in virtual screening, ligand and structure-based drug design using physics-based and ideally AI/ML methods.
• Proven track record of developing models using ML or deep learning methods.
• Expertise in writing and implementing Python scripts for analysis and tool development, and/or utilising pipelining tools to support cheminformatics and design workflows.
• Genuine passion and enthusiasm for applying AI/ML to drug design and how this can transform the field.
• Demonstrated success managing external collaborations (industry/CROs) and working effectively in cross-functional environments.
• Growth mindset, adaptability, and eagerness to learn new concepts and techniques.

Nice to Have:

• Prior experience leveraging machine learning and generative AI methods for hit finding (e.g. ultra-large virtual screening and active learning), molecular design and lead optimisation
• Strong knowledge of drug design principles, including ADMET and DMPK.
• Knowledge of modalities such as PROTACs, molecular glues, PPI inhibitors or ADCs.
• A track record of authorship of relevant scientific manuscripts.

About the Medicinal Drug Design Team

We are building a dynamic team of Medicinal Chemists in Cambridge, MA, to transform how drugs are designed. By partnering deeply with our AI/ML colleagues, we are doing more than just leveraging the Isomorphic Labs Drug Design Engine - we are actively shaping it. We use our domain expertise to challenge and refine our algorithms, creating a powerful symbiotic relationship that drives our internal and collaborative portfolios. Our team work closely together in a supportive environment, where everyone is valued for their medicinal chemistry expertise and experience they bring to the group. We have a strong growth mindset and prioritise continued development and learning.

Your impact 

As part of our expansion to Cambridge, MA, we are seeking an experienced and strategic Head of Chemistry, Drug Design to join our foundational Drug Design team. This is a pivotal role for a motivated scientific leader who is eager to shape the future of drug discovery at the intersection of medicinal chemistry and artificial intelligence. This role requires a unique blend of deep scientific expertise and the ability to lead both technical projects and high-performing teams, whilst contributing to or leading active drug discovery programs.

You will provide scientific leadership and strategic direction for the Medicinal Drug Design team, responsible for delivery and guidance of projects to clinical candidate nomination. Additionally, you will oversee and mentor a team of talented Medicinal Chemists, fostering their scientific growth and career development. Working alongside world-leading AI/ML Scientists, you will play a critical role in driving project success, enhancing our AI platform through expert feedback, and building a high-performing team. Critical to this role will be the ability to build highly effective and efficient connectivity with Computational Drug Design, Biology and Pre-Clinical Development teams to accelerate pace to the clinic. If you are a skilled Medicinal Chemist with leadership experience and a passion for applying cutting-edge technology to complex scientific challenges, this role offers an unparalleled opportunity for impact and growth.

What you will do 

• Apply your knowledge and track record of modern drug design & discovery principles to deliver our Drug Design portfolio. 
• Provide direct line management for a growing team of Medicinal Chemists. Set clear goals, provide regular feedback, support their professional development, and foster a collaborative and high-performance team environment.
• Provide strategic input and technical direction to our AI/ML platform teams. 
• Collaborate both internally and with third party organisations, interacting within multidisciplinary teams, to support data-driven delivery of high quality scientific solutions to complex technical problems. 
• Represent the company externally, interacting with existing and prospective collaborators and Contract Research Organizations (CROs). 
• Effectively manage CRO resource and monitor KPIs to maintain delivery. 
• Prepare detailed scientific proposals and reports to support new and ongoing programs. 
• Embrace and champion our culture of inclusion and continuous professional development. 

Skills and qualifications 

Essential:

• PhD in Synthetic Organic Chemistry, Medicinal Chemistry or a related technical field, or equivalent industrial experience.
• Solid foundation in medicinal chemistry with a minimum of 10+ years previous industrial experience within a pharma/biotech/CRO setting. 
• Proven track record of leading medicinal chemistry efforts on drug discovery projects, demonstrating significant contributions to project progression (ideally from Hit Identification through to Lead Optimization/Candidate Nomination, with familiarity of optimization of Drug Metabolism and Pharmacokinetics (DMPK).
• Demonstrated experience in line management, mentorship, and developing scientific talent.
• Excellent strategic thinking, problem-solving, and decision-making capabilities applied to complex drug discovery challenges.
• Strong strategic thinking, problem-solving, and decision-making capabilities applied to complex drug discovery challenges.
• Experience of working with and closely managing CRO resource. 
• Strong track record of scientific achievement, evidenced by publications, patents, and presentations.
• Genuine passion for drug discovery and enthusiasm for the potential of AI/ML to transform the field.

Nice to have:

• Experience of successful application of fragment-based drug design approaches.