ATOM - Small Molecule Data Driven Modelling for Drug Discovery (NDMN)
 Closed for Registration
  • Lecture time: Monday: 12:30:00 - 13:20:00 ET
  • Lab time: Friday: 12:30:00 - 14:20:00 ET
  • Domain: Research and Development
  • Keywords: cheminformatics, Cheminformatics, docking, Drug Research and Development, Machine Learning, Molecular biology, protein structure
  • Tools: concepts in drug discovery, Machine Learning, Python
  • Citizenship: U.S. citizens and permanent residents preferred
Summary

Project will train machine learning models using the Atom Modeling Pipeline to predict hERG (heart toxicity) data. Students will learn about single task and multi-task modeling along with working with different splitters and featurization techniques and compare prediction results

Description

Please see the PDF for a detailed project description.

AY 2023 - 2024 Last updated: Aug. 4, 2023, 12:55 p.m.