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  • Location: Scotland
  • Salary: Competitive salary and benefits package
  • Job Type:Permanent

Posted 8 months ago

  • Sector: Software
  • Contact: Ollie Gearing
  • Contact Email:
  • Contact Phone: 01403 216216
  • Start Date: 2023-06-21
  • Job Ref: V-47641 - OG

Exciting opportunity for a talented Data Scientist - Cheminformatics to join a leading drug discovery company. They are focussing on unlocking the unreachable scientific space. The role offers a competitive salary, development opportunities and the option to work remotely. The company is a dynamic organization with a track record of delivering outstanding scientific discoveries.


  • Assume a leadership position in the chemical intelligence team to deliver solutions for retrosynthesis, reaction conditions prediction and molecular properties predictions.

  • Design, test and implement algorithms for chemical exploration and synthesis strategies.

  • Process, structure and analyse chemical and experimental data to support the development of these strategies.

  • Development and implementation of R&D algorithms into software products.

  • Presentation of data and recommendations to the Chemify executive team and customers, internal and external

Desired skills and attributes:

  • Experience in the development & deployment of large-scale ML algorithms

  • Experience in working under Agile/Scrum-based project management

  • Experience analysing large structured and unstructured datasets

  • Familiarity with database tools such as RDBMS (e.g. MySQL) or NO-SQL (e.g. MongoDB)

  • Ability and eagerness to familiarize yourself with novel techniques based on project needs.


Knowledge of cheminformatics, retrosynthesis or drug discovery

  • Strong proficiency with ML toolkits (Pytorch, Tensorfiow, Scikit-Learn) and deployment of software on high-throughput compute servers

  • MSc/PhD in natural sciences, mathematics or engineering with 2+ years industry experience.

  • Keen interest in chemistry and willingness to learn chemical concepts fast

  • Experience leading interdisciplinary teams to deliver results under tight deadlines, preferably using Agile/Scrum-based project management.

  • Excellent oral and written communication & presentation skills (English fluency)

If this role interests you, please don’t hesitate to contact me on 01403 216216 or email me on to arrange a call.