Digital Lead Computational Chemistry and AI

Key Skills

Aartificial intelligence, Analytical and Problem solving, Data Analysis, Data science techniques, Effective communication skills, Machine learning techniques, Python Programming

Job Description

The Multi-modal Representation Learning scientists in Machine Intelligence focus on the analysis of various biological data, such as transcriptomic and genomic data, protein sequence and structure, images, and more. We specialize in representation learning, multi-modal diffusion models, and decoder-only generative models to integrate different data modalities and enhance our understanding and predictions. We collaborate closely with our experimental colleagues in early research to improve and accelerate the design of new drug candidates. With a team of scientists located in multiple countries, we strive to deliver the latest advancements in multi-modal representation learning to benefit patient health and global medicine.

The Position

We are seeking an exceptional Multi-modal Representation Learning Scientist to join our team as a Senior Data Scientist and contribute to cutting-edge research in the analysis of biological data and integration of different data modalities. As an expert in representation learning, multi-modal diffusion models, and decoder-only generative models, you will bring your expertise in training deep learning models on diverse biological data and connecting them to other data modalities. In this role, you will work within drug development projects in early research, supporting the development of new drug candidates and the initiation of new drug pipeline projects. This requires close collaboration with other research scientists in multidisciplinary teams and solving ambitious scientific goals. The position also requires close collaboration with our data science and machine learning colleagues across global sites and contributing to the onboarding and development of new computational drug design methods.

Relationships

The Multi-modal Representation Learning Scientist reports to the head of Machine Intelligence. Internal partners include data scientists, specialists, engineers, software developers, technology scouts & partnership developers, system engineers, designers, anthropologists, medical doctors, IT professionals, and others across the US and other countries. External relationships include commercial and academic collaboration partners.

Essential Functions

• Develop state-of-the-art deep learning models for the analysis of various biological data types, such as transcriptomic and genomic data, protein sequence and structure, and images.
• Apply representation learning, multi-modal diffusion models, and decoder-only generative models to integrate different data modalities, perform in silico experiments, and enhance the analysis of biological data.
• Collaborate with multidisciplinary teams to design and execute computational experiments that support drug development/screening projects in early research.
• Stay current with the latest research and advancements in deep learning, representation learning, and multi-modal data integration.
• Communicate findings and results to stakeholders through presentations, reports, and scientific publications.

Physical Requirements

Up to 10% overnight travel required.

The Position

The Senior Principal Data Scientist - Digital Lead Small Molecules will reported to the Head of Molecular AI and be a critical team member of Molecular AI and contribute to the research team's effort towards exploring and utilizing new technology in the field of small molecule drug design. The ideal candidate will have extensive knowledge and experience in both advanced computational drug design methods and small molecule therapeutic development. The successful candidate should have a high degree of proficiency in Python (or other scientific programming), machine learning libraries, cheminformatics tools and libraries, and cloud computing. In addition, the candidate will be responsible for taking initiative in recognizing and addressing unmet scientific needs using internal and external data. A successful candidate will be able to critically evaluate both external and internal technologies and develop strategies for technology partnerships that align and advance our therapeutic portfolio.

***Please note we are open to hiring at Scientific Director commensurate with experience***

Relationships

The Senior Principal Data Scientist - Digital Lead Small Molecules works closely with the Associate Director of Molecular AI and the Head of Small Molecules to develop and implement digital strategies for small molecules. They will have close interactions with scientists and experts within Research Chemistry. Additional internal partners include data scientists, specialists, engineers, software developers, technology scouts & partnership developers and others across the global. External relationships include commercial and academic collaboration partners.

Essential Functions

• Contribute to on-going portfolio projects within multiple therapy areas
• Apply state-of-the-art computation-powered drug design techniques to design and optimize candidate molecules to achieve desired potency and properties, in close collaboration with our medicinal chemistry colleagues
• Contribute to the identification, evaluation, and implementation of innovative computational approaches that improve research productivity and success
• Provide expertise and coordinate digital activities focused on small molecule design and development, asset evaluations and innovation
• Represent Digital Science and Innovation (DSI) on various project and strategic teams involved in defining and harmonizing small molecule activities across Research and Early Develop (R&ED)
• Work with ML scientists and engineers to guide the development of our ML models
• Conceptualize approaches, identify capability gaps, and set goals within small molecule drug design
• Lead the identification, evaluation and execution of external partnerships and collaborations
• Be a lead scientific contributor in asset due diligences
• Prepare and present research in top-leading journals or conferences
• Maintain scientific and technical expertise through familiarity with scientific literature and attending conferences
• Mentor junior team members
• Work closely with Therapeutic areas, Research Chemistry to drive the strategy and discovery/development efforts focused on small molecules
• Actively participates in regular virtual global team meetings
• Participate in the evaluation of external and internal capabilities and facilitate collaborations with external partners
• Present your results to an interdisciplinary team of experimental, modeling scientist and machine learning colleagues at company meetings and strategic program readouts

Physical Requirements

0-10% overnight travel required.10-20% overnight travel required.

Qualifications

• PhD within related discipline with 10+ years’ relevant experience can be considered
• Significant accomplishments and demonstrated creativity in small molecule drug designs with a minimum of 10 years’ industrial experience
• Experience working on real world drug discovery campaigns
• Demonstrated in-depth knowledge in the foundations and practice of modern machine learning, including deep learning, and their application to diverse molecular design tasks
• Considerable experience working with machine learning methods for small molecule chemistry across diverse tasks
• Exposure to ML methods in a low-data regime (few-shot or zero-shot learning)
• Understanding of computational chemistry principles and their application within a multidisciplinary drug discovery environment
• Working knowledge of physical and organic chemistry, retrosynthetic design, physical chemical properties, biological assays, and PKDM properties
• Proficiency in scientific scripting and programming languages, preferably Python
• Ability to perform in-depth data analysis and present results and conclusions to engineering and leadership teams
• A successful candidate will have strong communication skills and an enabling attitude, be a problem solver, and have the desire to work in a collaborative manner in a team environment
• Publications supporting expert skill set in computational small molecule drug design

We commit to an inclusive recruitment process and equality of opportunity for all our job applicants.

At Novo Nordisk we recognize that it is no longer good enough to aspire to be the best company in the world. We need to aspire to be the best company for the world and we know that this is only possible with talented employees with diverse perspectives, backgrounds and cultures. We are therefore committed to creating an inclusive culture that celebrates the diversity of our employees, the patients we serve and communities we operate in. Together, we’re life changing.