Document Type
Poster
Publication Date
Fall 10-2020
Abstract
Predicting small molecule potency against a target receptor is critically important in the drug discovery process. By evaluating literature and associated GitHub repositories, we developed a deep learning model based on 3-D molecule and protein structure information to generate new small molecules and predict their binding affinity with protein receptors.
Supervisor: Hongzhou Zhang, PhD
Recommended Citation
Hughes, Gillian, "De Novo Molecular Design Using 3D Molecular Structure Information" (2020). Annual Student Research Poster Session. 39, Scholarly and Creative Work from DePauw University.
https://scholarship.depauw.edu/srfposters/39
Comments
Gillian Hughes
Eli Lilly, Research IDS
Supported by: Eli Lilly