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Team Leader / Research Leader (Computational Drug Design)(m/w/x)
Directing AI-first small molecule drug design programs, integrating AI into computational chemistry workflows. 8+ years pharma/biotech/CRO experience leading computational chemistry strategy required. Mentoring team members, overseeing external collaborations.
Requirements
- PhD in Computational Chemistry, Medicinal Chemistry, Synthetic Chemistry, or related field
- 8+ years’ professional experience in pharma, biotech, or CRO environment
- Proven experience leading computational chemistry strategy and execution
- Strong expertise in virtual screening and drug design using physics-based and AI/ML methods
- Proven track record of developing QSAR models using ML or deep learning methods
- Expertise in writing and implementing Python scripts for analysis and tool development
- Strong knowledge of medicinal chemistry principles including ADMET and DMPK
- Knowledge of modalities such as PROTACs, molecular glues, PPI inhibitors or ADCs
- Genuine passion for applying AI/ML to drug design
- Demonstrated success managing external collaborations and working in cross-functional environments
- Growth mindset, adaptability, and eagerness to learn new concepts and techniques
- Prior experience leveraging machine learning and generative AI methods for hit finding and molecular design
- Prior experience of leading drug discovery programs
- Track record of authorship of relevant scientific manuscripts
Tasks
- Define the scientific and technical direction for small molecule therapeutic programs
- Oversee external collaborations with CROs and lead drug discovery programs
- Establish principles for integrating AI/ML into computational chemistry workflows
- Mentor and guide team members to foster a culture of scientific excellence
- Apply AI-first approaches to direct and execute drug design programs
Work Experience
- 8 years
Education
- Master's degree
Languages
- English – Business Fluent
Tools & Technologies
- Python
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Team Leader / Research Leader (Computational Drug Design)(m/w/x)
Directing AI-first small molecule drug design programs, integrating AI into computational chemistry workflows. 8+ years pharma/biotech/CRO experience leading computational chemistry strategy required. Mentoring team members, overseeing external collaborations.
Requirements
- PhD in Computational Chemistry, Medicinal Chemistry, Synthetic Chemistry, or related field
- 8+ years’ professional experience in pharma, biotech, or CRO environment
- Proven experience leading computational chemistry strategy and execution
- Strong expertise in virtual screening and drug design using physics-based and AI/ML methods
- Proven track record of developing QSAR models using ML or deep learning methods
- Expertise in writing and implementing Python scripts for analysis and tool development
- Strong knowledge of medicinal chemistry principles including ADMET and DMPK
- Knowledge of modalities such as PROTACs, molecular glues, PPI inhibitors or ADCs
- Genuine passion for applying AI/ML to drug design
- Demonstrated success managing external collaborations and working in cross-functional environments
- Growth mindset, adaptability, and eagerness to learn new concepts and techniques
- Prior experience leveraging machine learning and generative AI methods for hit finding and molecular design
- Prior experience of leading drug discovery programs
- Track record of authorship of relevant scientific manuscripts
Tasks
- Define the scientific and technical direction for small molecule therapeutic programs
- Oversee external collaborations with CROs and lead drug discovery programs
- Establish principles for integrating AI/ML into computational chemistry workflows
- Mentor and guide team members to foster a culture of scientific excellence
- Apply AI-first approaches to direct and execute drug design programs
Work Experience
- 8 years
Education
- Master's degree
Languages
- English – Business Fluent
Tools & Technologies
- Python
Like this job?
BetaYour Career Agent finds similar jobs for you every day.
About the Company
Isomorphic Labs
Industry
Pharmaceuticals
Description
The company is applying frontier AI to unlock deeper scientific insights and accelerate drug discovery.
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