Scientist, CADD & Cheminformatics, based in Montreal/Quebec or remote

Date: May 8, 2026

Location: QC, CA, H4R 2P1

Company: X-Chem

At X-Chem, it is our mission to leverage the world’s leading drug discovery platform to help create molecules that will improve human health.  At X-Chem, we do more than screen compounds. We help you make confident decisions that move science forward. Our integrated platform combines DNA-encoded libraries, medicinal chemistry, advanced modeling and proprietary AI into a powerful and precise discovery engine. Everything is connected through Chemomics, our approach to unlocking value from every data point. Whether you’re exploring a new target or refining a lead, we help you discover high-quality molecules with greater speed, insight and control.

 

X-Chem is seeking a candidate for the position of Scientist, Computer-aided Drug Design (CADD) & Cheminformatics to join our team, based in Montreal, QC, or remotely within Canada.  Primary responsibilities include applying computational chemistry and cheminformatics approaches to support and guide medicinal chemistry projects, as well as developing and maintaining machine learning models. The role also offers opportunities to expand into computational method development and to engage with analytical chemistry and DMPK in the context of machine learning as part of professional development.

 

This position provides the opportunity to be on the cutting edge of scientific development in cheminformatics and computational chemistry. This role will be reporting to Senior Director, Computational Chemistry. The ideal candidate will bring creativity, curiosity and a willingness to learn and be flexible.

 

Key Responsibilities

  • Provide computational chemistry and cheminformatics support in collaboration with medicinal chemistry teams to guide project decisions
  • Contribute to the development and application of machine learning approaches for drug discovery (e.g. property prediction) to support compound prioritization
  • Support the development and maintenance of chemistry and experimental data workflows
  • Support data integration and workflow development across the drug discovery pipeline and contribute to data governance      

 

Qualifications

  • Education: BSc and/or MSc Degree in Physical Chemistry, Computer Science or related field, and/or a PhD in the same field.
  • Experience: 1 to 3 years of industry experience is desirable.
  • Proficiency in at least one programming language (e.g. Python, R, SVL)
  • Familiarity with computational chemistry or cheminformatics software (e.g. MOE, Schrodinger, OpenEye, RDKit)
  • Basic knowledge of computational chemistry principles
  • Experience with cheminformatics workflows and data processing, DNA-encoded libraries, or CDD Vault is an asset

 

Other Requirements

  • Bilingual (French and English).
  • Excellent oral and written communication skills
  • Good problem-solving skills.
  • Strong organizational skills and attention to detail with the ability to manage multiple priorities effectively.
  • Current work authorization in Canada

 

 

The company cooperates with its customers, partners and colleagues outside Quebec for the research and development of medical products based on the identification and optimization of small molecules enabling the development of specific drugs. Interaction with colleagues and partners outside Quebec, notably in Budapest and Waltham, is constant. Consequently, knowledge of English is required for this unique and specialized position.  Knowledge of French is required for positions permanently located in Quebec, so that the incumbent can communicate as needed with colleagues, customers and partners in Quebec. French-language training will be offered to any incumbent of a permanent position in Quebec who does not have a good knowledge of French. 

 

Our scientists innovate beyond reported chemistry while focusing on delivery. We all share a passion for staying at the forefront of computational, cheminformatics, medicinal and synthetic chemistry. To drive innovation, we acknowledge the importance of intelligent risk-taking, open-mindedness and initiative. We encourage creativity in an informal environment and recognize everyone’s contribution as part of a team to work together toward a common vision.

 

What are the benefits joining us?

We are focused on the development and career progression of our people to reach their full potential through workshops, training courses and mentor guidance. X-Chem offers competitive compensation (salary and performance incentive) and interesting benefits package. Benefits we offer include: Medical, Dental, STD/LTD and Life Insurance, Retirement Plan with employer match; paid vacations starting at 3 weeks plus paid Christmas shutdown; casual dress, vision care including prescription safety glasses, training sessions and workshops, social hours and team-building company events.