Funding for this research was provided by:
MIT-Takeda Fellowship
MIT Jameel Clinic
MIT Undergraduate Research Opportunity Fellowship
Novo Nordisk
Article Title: Chemistry-informed macromolecule graph representation for similarity computation, unsupervised and supervised learning
Journal Title: Machine Learning: Science and Technology
Article Type: paper
Copyright Information: © 2022 The Author(s). Published by IOP Publishing Ltd
Publication dates
Date Received: 2021-12-02
Date Accepted: 2022-02-11
Online publication date: 2022-02-21