Applications of Machine Learning to Process Chemistry

How machine learning is being used to accelerate industrial organic process chemistry

2 Sessions
Online - Live & Interactive
1 Tutor
BL

Dr Ben Littler

Course tutor

I truly enjoyed the course. It was particularly cool to see the limitations discussed as well, which added depth to the learning process. Overall, I found the course to be quite complete and informative, making it an excellent starting point for anyone interested in this field.
Applications of Machine Learning to Process Chemistry Previous attendee, Online, March 2025
The course is very well presented and supported by a large number of references. It's very useful for better understanding what Machine Learning can contribute to the future of process chemistry.
Applications of Machine Learning to Process Chemistry Previous attendee, Online, March 2025
Great starting point for anyone lost in the wave of machine learning "hype" literature and trying to understand the usefulness of machine learning in process chemistry.
Applications of Machine Learning to Process Chemistry Previous attendee, Online, March 2025
This was a great course to provide basic knowledge to be confident to learn something or understand the primary literature.
Applications of Machine Learning to Process Chemistry Short Course - 2024, San Diego Previous attendee, Applications of Machine Learning to Process Chemistry Short Course - 2024, San Diego

About This Course

This course focuses on how machine learning is helping to solve process chemistry challenges in the pharmaceutical and fine chemical industries.
Multiple contemporary use-cases will be presented while providing a basic overview of the underlying algorithms and methods without knowing how to code. The target audience is industrial organic process chemists who want to learn more about this emerging field.

 

  1. An overview of data-driven modelling and prediction in chemistry
  2. Applications of classical machine learning for reaction design
  3. Reaction optimization using machine learning
  4. Synthesis route prediction
  5. Reaction condition prediction

Who Should Attend

  • The target audience is generalist chemists who want to learn more about this emerging field. No experience in coding, artificial intelligence or machine learning is assumed.
  • Attendees should note that topics such as Large Language Models, Computer Vision, and Intelligent Robotics are covered the “Applications of Artificial Intelligence to Process Chemistry” short course.

Format & Delivery

Format Online
Duration 2 Sessions
In-House Available for in-house delivery
Tutor Dr Ben Littler

Course Outline

  • Machine Learning Foundations
  • Reaction Selectivity Prediction
  • Bayesian Optimization
  • Synthesis Route Prediction (CASP)
  • Reaction Condition Prediction

Learning Outcomes

By the end of this course you will be able to:

  • Basic concepts and terminology of ML without coding or advanced mathematics
  • Reality vs hype: strengths, weaknesses, and gaps in current tools
  • Improved comprehension of the rapidly increasing body of literature
  • Curated list of references for those who want to dig deeper into how the tools work
  • Inspiration to try the tools yourself or with colleagues

Your Tutors

Dr Ben Littler

Scientific Update Ltd

Ben obtained his chemistry from the University of Oxford and PhD in Organic Chemistry at the University of Bristol working with Professor Tim Gallagher. He then completed a postdoc at North Carolina State University with Professor Jon Lindsey before joining the Chemical Development team at AMRI in Albany, New York in 1999. At AMRI Ben worked in the kilo lab and pilot plant developing and implementing process from up to tens of kg scale. He also led a team developing routes and process for first-in-human synthesis. He was also lead chemist for reaction calorimetry, real-time analysis and automation techniques.

In 2004 Ben joined Vertex Pharmaceuticals in Boston where he focused on implementing PAT tools and developing synthesis processes for late-stage and commercial manufacture, including telaprevir for hepatitis C treatment. In 2005 Ben relocated to Vertex San Diego to set-up and lead a new process chemistry team focused on facilitating the movement of candidate molecules from Med Chem to the clinical trials, including cystic fibrosis (lumacaftor, tezacaftor, elexacaftor) and pain. During this time he gained experience in numerous aspects of drug discovery, pharmaceutical sciences, working with outsourcing partners, project and team leadership. He also chaired cross-functional scientific teams implementing advanced manufacturing techniques, such as flow chemistry, biotransformations, and photochemistry

In 2022 Ben left Vertex to set up his own consulting business which includes joining Scientific Update as Technical Associate,North America & Asia Pacific.

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What Attendees Say

I truly enjoyed the course. It was particularly cool to see the limitations discussed as well, which added depth to the learning process. Overall, I found the course to be quite complete and informative, making it an excellent starting point for anyone interested in this field.
Applications of Machine Learning to Process Chemistry Previous attendee, Online, March 2025
The course is very well presented and supported by a large number of references. It's very useful for better understanding what Machine Learning can contribute to the future of process chemistry.
Applications of Machine Learning to Process Chemistry Previous attendee, Online, March 2025
Great starting point for anyone lost in the wave of machine learning "hype" literature and trying to understand the usefulness of machine learning in process chemistry.
Applications of Machine Learning to Process Chemistry Previous attendee, Online, March 2025
This was a great course to provide basic knowledge to be confident to learn something or understand the primary literature.
Applications of Machine Learning to Process Chemistry Short Course - 2024, San Diego Previous attendee, Applications of Machine Learning to Process Chemistry Short Course - 2024, San Diego
Excellent coverage of a very expansive topic.
Applications of Machine Learning to Process Chemistry Short Course - 2024, San Diego Previous attendee, Applications of Machine Learning to Process Chemistry Short Course - 2024, San Diego
Great introduction course. Helped me understand the basics of ML and where it might be useful during Chemical Development.
Applications of Machine Learning to Process Chemistry Short Course - 2024, San Diego Previous attendee, Applications of Machine Learning to Process Chemistry Short Course - 2024, San Diego
Amazingly organized course. sufficient introduction of a complicated topic. Expert synthesis of contents into a short course.
Applications of Machine Learning to Process Chemistry Short Course - 2024, San Diego Previous attendee, Applications of Machine Learning to Process Chemistry Short Course - 2024, San Diego
Really well presented! Thank you!
Applications of Machine Learning to Process Chemistry Short Course - 2024, San Diego Previous attendee, Applications of Machine Learning to Process Chemistry Short Course - 2024, San Diego

Course Dates

19-20 Oct 2026 Online - 2 Sessions - Booking open
  • PDT: 7.00am-10.00am
  • CDT: 9.00am-12.00pm
  • EDT: 10.00am-1.00pm
  • BST: 3.00pm-6.00pm
  • CEST: 4.00pm-7.00pm
View & book →
22-23 Feb 2027 Online - 2 Sessions - Booking open
  • PST: 7.00am-10.00am
  • CST: 9.00am-12.00pm
  • EST: 10.00am-1.00pm
  • GMT: 3.00pm-6.00pm
  • CET: 4.00pm-7.00pm
View & book →
Have a group of 8 or more interested?

We can deliver this course as an in-house training solution, tailored to your team's needs. Groups of 8 or more attendees can be trained by our team of expert trainers, either at your facility or online.

Make an enquiry

Limited places · early booking recommended