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Posted on 2026/04/03

Project Leader AI driven Drug Discovery

PHARMA INVENTOR INC.

Vancouver, BC

Full-time

Job description

Job Postings: Available position for a Project Leader – AI driven Drug Discovery in our Chemistry R&D site in Vancouver, BC.

PHARMA INVENTOR INC., is a Vancouver-based rapidly growing preclinical drug discovery contract research & development organization. Company offers a dynamic and collaborative work environment where scientific excellence, innovation and matching salary & benefits are at the ...forefront.

Job description for Project Leader - AI driven Drug Discovery positions:

Pharma Inventor, Inc. is seeking energetic, result-oriented individuals with proven track records of success to join our dynamic team.

The successful candidate is expected to be a highly motivated Machine Learning professional to help drive research on Machine Learning for Drug Discovery.

As Project lead for AI, the candidate will occupy a high-impact, strategic position, acting as the essential bridge between AI Research team and the Drug Discovery department.

The successful candidate will collaborate extensively with our R&D Scientists to deploy and deliver machine-learning solutions for small-molecule drug discovery.

The key responsibilities of the successful candidates include the following:

• Apply computational chemistry techniques and AI methodologies to support the discovery and optimization of new drug candidates.

• Develop and apply AI/ML models for structure-based and ligand-based drug design.

• Use computational chemistry and AI tools to predict and optimize PD/PK properties.

• Plan and execute AI-driven research projects, ensuring they are delivered on time, within scope, and to the highest scientific standards.

• Design AI algorithms to identify novel drug candidates and understand their mechanisms.

• Lead interdisciplinary teams.

• Align AI research initiatives with Drug Discovery objectives to prioritize projects based on their scientific and business impact.

• Collaborate with medicinal chemists in our Chemistry R&D Department on drug discovery projects.

• Analyze large datasets to extract insights and inform decisions.

• Prepare and review scientific reports, publications, and presentations.

• Contribute to the development of new computational tools and methodologies.

• Participate in defining the scientific roadmap by identifying how the latest AI advancements (Generative AI, Causal AI) can solve concrete drug discovery hurdles.

• Evaluate and interpret model predictions to guide experiments and generate hypotheses.

• Promote best practices in data governance, reproducibility, and research quality standards.

• Present findings to both technical and non-technical stakeholders.

• Participate in scientific discussions and strategy meetings.

Minimum Qualifications:

Ph.

D. or master’s degree in computational chemistry with excellent Medicinal Chemistry/Synthetic Chemistry background/ knowledge.

Relevant industrial experience in computational chemistry, AI and drug discovery is an asset.

Applicant recently graduated from a Canadian University or those ones holding Canadian Citizenship/Permanent Residency to be eligible to start working are highly encouraged to apply immediately.

The position is remote-friendly within Canada, with a requirement to visit our Vancouver-based facility at least once a month to maintain team cohesion.

Preferred Qualifications:

• Proven experience in developing and applying computational chemistry and AI/ML models in the pharmaceutical or biotechnology industry.

• Highly proficient in the latest AI advancements for Drug Discovery (Generative models, single-cell sequencing, systems biology).

• Experience with computational chemistry software (e.g., Schrödinger, MOE, AMBER, GROMACS.) and AI/ML frameworks (e.g., TensorFlow, PyTorch, Scikit-learn).

• Proficiency in computational chemistry techniques and creating advanced AI/ML models for drug design and biological data analysis, including Large Language Models for biology, de novo drug design with Generative AI, geometric deep learning, and structure-based bioactivity prediction.

• Ability to work effectively in multidisciplinary teams, demonstrating excellent communication and problem-solving skills.

• Well soft skills required including being organized, agile, problem-solver and a persuasive communicator.

• Self-motivated and passionate about staying current with computational chemistry and the latest AI/ML technologies and their applications in drug discovery.

• Excellent written and verbal communication skills.

• Detail-oriented with strong organizational and project management skills.

• Languages: Fluency in English is mandatory.

Knowledge of French is a plus but is not a requirement for this role.

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