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28th Annual Green Chemistry & Engineering Conference



9 a.m. – 5 p.m., Sunday, June 2, 2024
Crowne Plaza Atlanta Perimeter at Ravinia

Students and post-doctoral scholars are encouraged to attend the free GC&E AI Hackathon taking place on the day before the GC&E Conference starts.

The AI hackathon is a full-day immersive experience that serves as a replacement for our traditional student and postdoc workshop, offering an exciting opportunity to explore the intersection of artificial intelligence and sustainable practices. The AI Hackathon is designed to harness the potential of artificial intelligence (AI) in the field of toxicity. This one-day hackathon aims to bring together experts and enthusiasts on AI and green chemistry to develop predictive models for chemical toxicity using a comprehensive dataset. Traditional methods of toxicity testing are often time-consuming and expensive. AI offers a promising alternative, with the potential to revolutionize the way we approach chemical safety. Join us on this journey of predictive analytics for real-world sustainability challenges.

Learning Objectives

  • Understand the fundamental principles governing data quality assessment and the basics of AI algorithms for data analysis.
  • Demonstrate proficiency in molecular featurization techniques and the generation of descriptors for chemical compounds.
  • Develop skills in utilizing AI models to predict chemical toxicity based on molecular structures, including understanding the underlying processes and methodologies involved.

A $50 refundable deposit is required to reserve your spot in the workshop. Just make sure to select the workshop option when you register for the Conference. Participants who complete the workshop will receive a certificate of completion and their $50 registration fee will be refunded.


Sunday, June 2, 2024

Students and postdocs will work in Teams of 6 to develop predictive models for chemical toxicity. Teams will receive preparatory material, preliminary data set, and group assignments two weeks prior to the hackathon. 

8:00 a.m.
8:45 a.m.
Welcome and Introduction
  • Welcome and Objectives
  • Brief of the Toxicity Data Set
9:00 a.m.
Team Check-in
  • Pre-Assembled Teams Check-in
  • Discuss roles and objectives
9:15 a.m.
Exploratory Data Analysis and Ideation
  • Receive Full Toxicology Data Set
  • Brainstorming for AI Solutions
10:45 a.m.
11:00 a.m.
Machine Learning Session
  • Recap of Tutorial Materials
  • Data Cleaning
  • Practical Machine Learning Implementation
12:30 p.m.
1:30 p.m.
Machine Learning Session Cont..
  • Fine-tuning and Optimization
  • Presentation Preparation
  • Continuous Mentoring Support
3:50 p.m.
Team Presentations
  • 5 minute Presentations 
  • 1-2 min for Q&A
5:00 p.m.
Closing Acknowledgements

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