Empowering Chemists with AI and ML: Transformative Tools and Techniques

This webinar gave a tailored introduction to the application of artificial intelligence (AI) and machine learning (ML) in the field of chemistry highlighting the use of AI/ML techniques in various fields of chemistry, from drug discovery to materials science. The webinar highlighted the importance of theoretical learning and hands-on practical exercises, with selected code examples in Python, MATLAB and KNIME workflows in an easy-to-follow online Jyputer Notebook type of practicing environment. This webinar is for chemists who have no prior AI/ML or automation experience, and it assumes no prior programming knowledge. The participants will gain insights into the key benefits and challenges of applying AI/ML in chemistry and develop skills to utilize these technologies effectively in their own research or professional endeavors.

Objectives:

• Understand the fundamentals of AI/ML and its tailored application to chemistry.
• Introduction to the diverse applications of AI/ML in different branches of chemistry, such as drug discovery, molecular design, reaction prediction, and spectroscopy analysis.
• Introduction on commonly used AI/ML algorithms and tools commonly used in chemistry research.
• Introduction on implementing AI/ML techniques to solve real-world chemistry problems.
• Introduction on how to develop critical thinking skills to evaluate the potential impact of AI/ML on the future of chemistry research and industry.

Target Audience:

• Graduate students and researchers in chemistry and related fields seeking to enhance their knowledge and skills in AI/ML.
• Professionals working in pharmaceuticals, materials science, chemical engineering, and other industries are interested in leveraging AI/ML for innovation.
• Educators and instructors looking to integrate AI/ML concepts into their chemistry curricula.
• Policy makers and regulators are involved in shaping the future of AI/ML applications in chemistry.

This webinar was presented by Dr Sourav Chatterjee, University of Bath