Senior Research and Data Scientist, AI and Cheminformatics Solutions

AI and ML Jobs

Work your magic with us!

Ready to explore, break down barriers and discover more? We know you have big plans – we do too! We are passionate about innovating science and technology to enrich people’s lives with solutions in , life sciences and electronics. Together, we dream big and are passionate about caring for the rich combination of people, customers, patients and the planet. We are looking for people who are full of curiosity and who can imagine the unimaginable.

Unleashing the power of data, AI for Drug Discovery (AIDD) has the potential to enable personalized medicine and transform patient lives. The M-Ventures-funded biotech start-up is seizing an opportunity at the intersection of Merck’s healthcare division and Life’s science division in his KGaA Darmstadt, Germany. Our mission is to think big and reach out to the entire team to maximize the capabilities of the organization. For more than 350 years around the world, we’ve passionately pursued our curiosity to find new and inspiring ways to improve people’s lives.

Your role:

As the latest senior research and data scientist, AI and cheminformatics solutions, this will play a key role in shaping the AI-enabled drug discovery (AIDD) project aiming for a holistic drug discovery solution from design to delivery. .

Collaborate closely with other scientists to build key analytical and predictive modules used in SaaS-based drug discovery solutions that employ artificial intelligence and machine learning (AI/ML) techniques and other algorithmic approaches, Work on automating the reaction. A team that supports the link between drug design and drug delivery.

This role will typically involve activities such as:

  • Building a computational chemistry engine for drug discovery based on ML/AL and other procedural algorithms
  • Curating large structure-activity relationship (SAR) datasets and building predictive models from them
  • Keep up with the latest developments in computational chemistry and machine-driven drug discovery in publications and improve existing products based on them
  • Apply ML/AL to classical computational chemistry approaches such as molecular mechanics, molecular dynamics, and protein folding.
  • Documentation of data, data curation and model building process
  • Work closely with product teams to support ChemInformatics needs
  • Analyze complex AIDD problems and clarify solution ideas based on ChemInformatics and AI/ML approaches
  • Work with prospects or business teams to create solutions that address business needs.
  • Provide a proof of concept for testing ideas and communicating ideas with the solution team
  • Follow an agile development approach in building PoCs and core modules

position: Burlington, MA – Hybrid

trip: <10%

Who are you:

Minimum qualifications:

  • MSc in Chemistry, Computational Chemistry, Cheminformatics, Computer/Data Science or related field
  • 5+ years industry experience
  • Have a good working knowledge of computational chemistry, drug discovery process and ChemInformatics
  • Familiar with data science tools such as data analytics, data processing, statistics, and AI/ML, and able to create working PoCs for demonstration purposes using these tools. Python, Java, JavaScript, C++, etc.
  • Start with raw data to build AI/ML models of SAR endpoints
  • Be curious and innovative with a strong desire to revolutionize the drug discovery process
  • Ability to work with AIDD customers to extract needs and design solutions from there
  • Be a good oral and written communicator.English skill required
  • Work collaboratively with others within and across teams

Desirable Qualifications:

  • PhD in biology, chemistry or related fields
  • Familiarity with agile development processes is desirable

What we offer: We are curious minds born from different backgrounds, perspectives and life experiences. We celebrate all aspects of diversity and believe it fosters excellence and innovation, enhancing our ability to lead in science and technology. We are committed to creating access and opportunity so that everyone can develop and grow at their own pace. Join us in building a culture of inclusion and belonging that impacts millions of people and empowers everyone to work their magic and champion human progress!

Apply now and be part of our diverse team!

To learn more about what diversity, equity and inclusion mean to us, please visit

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