Senior Scientist, AI and Computational Chemistry (all genders) - full-time/part-time

Posted 22 Nov 2022

Darmstadt, Hessen - Germany

Req Id 258530


A career at our company is an ongoing journey of discovery: our 60,300 people are shaping how the world lives, works and plays through next generation advancements in Healthcare, Life Science and Electronics. For more than 350 years and across the world we have passionately pursued our curiosity to find novel and vibrant ways of enhancing the lives of others.


Your role: By unlocking the power of data AI for drug discovery (AIDD) has the potential to enable personalized medicine and change patient lives. An M-Ventures-funded biotech start-up is poised to seize the opportunity at the intersection between the Healthcare and Life Science Divisions of our company. Our mandate is to think big and reach across teams to leverage the full capabilities of the organization. For more than 350 years and across the world we have passionately pursued our curiosity to find novel and vibrant ways of enhancing the lives of others. The Senior Scientist in AI and Computational Chemistry will be a key role in shaping up the AI-enabled Drug Discovery (AIDD) project that aims at the total drug discovery solution from design to delivery. You will work closely with other scientists to build the key analysis and prediction modules used in SaaS-based drug design solution employing the artificial intelligence and machine-learn (AI/ML) techniques as well as other algorithmic approaches, and work with the reaction automation team to support the link between drug-design and drug-delivery.

You will be responsible for: 

  • Building the computational chemistry engine for drug discovery purposed based on ML/AL and other procedural algorithms
  • Curating large structure-activity-relationship (SAR) datasets and building predictive models from them
  • Keeping up with the latest development in computational chemistry and machine-driven drug discovery in publications to improve the existing products based on them
  • Applying ML/AL on the traditional computational chemistry approaches in molecular mechanics, molecular dynamics, protein folding, etc.
  • Documenting data, data curation and model building processes
  • Working closely with the product team for supporting their needs in ChemInformatics
  • Analyzing complex problems in AIDD and articulating solution ideas based on ChemInformatics and AI/ML approaches
  • Working with potential customers or business team to craft solutions for business needs
  • Providing proof-of-concepts for testing out ideas and communicating ideas with solution team
  • Following an agile development approach in building PoC and core modules


Who You Are:

  • Ph.D. or MS in chemistry, computational chemistry, cheminformatics, Computer/Data Science or related area
  • Practical programming experience in Python, Java, JavaScript, C++, etc.
  • Have excellent working knowledge of computational chemistry tools, Chem/Bioinformatics tools, drug-discovery process, biological assay etc.
  • Experience building AI/ML models for SAR endpoints starting from raw data
  • Be familiar with tools for data science, such as data analysis, data processing, statistics, AI/ML, etc., and be able to use those tools to create working PoC for demonstration purposes, which implies practical and in-depth programming skills in Python, Java, JavaScript, C++, etc.
  • Familiar with the agile development process
  • Be curious and innovative with a strong desire to revolutionize the drug-discovery process
  • Be an excellent verbal and written communicator
  • Work collaboratively cross-functional global teams

What we offer: We are curious minds that come from a broad range of backgrounds, perspectives, and life experiences. We celebrate all dimensions of diversity. We believe that it drives excellence, innovation, and human progress. We care about our customers, patients, and our rich mix of people. This diversity strengthens our ability to lead in science and technology. We are committed to creating access and opportunities for all and empower you to fulfil your ambitions. Our diverse businesses offer various career moves to seek new horizons. Join us in building a culture of inclusion and belonging that impacts millions and empowers everyone to bring their curiosity to life!

Careers during Covid-19

Thank you for visiting our careers website, we are always looking for curious minds to join our teams. We understand how much the world is being impacted by the Covid-19 crisis and we want to assure you that your safety is very important to us. To ensure that everyone’s health is protected, instead of a standard face-to-face interview, it is likely that you will be offered alternative digital interview options. As an employee of the Company, you will be required to comply with all of the Company’s COVID-19 safety protocols and policies. The organization has currently suspended enforcement of its COVID-19 Vaccination Policy, but that policy may be reinstated by the Company in its discretion.

North America Disclosure

The Company is committed to accessibility in its workplaces, including during the job application process. Applicants who may require accommodation during the application process should speak with our Candidate Services team at 844-655-6466 from 8:00am to 5:30pm ET Monday through Friday. If you are a resident of a Connecticut or Colorado, you are eligible to receive additional information about the compensation and benefits, which we will provide upon request. You may contact 855 444 5678 from 8:00am to 5:30pm ET Monday through Friday, for assistance.

Notice on Fraudulent Job Offers

Unfortunately, we are aware of third parties that pretend to represent our company offering unauthorized employment opportunities. If you think a fraudulent source is offering you a job, please have a look at the following information:

Apply Now

Let’s stay connected

You want to check the status of your application or change your candidate profile? Enter our job portal to access your candidate profile.