Neuro-symbolic XAI for Computational Drug Repurposing

Martin Drancé, Marina Boudin, Fleur Mougin, Gayo Diallo

2021

Abstract

Today in the health domain, the challenge is to build a more transparent artificial intelligence, less affected by the opacity intrinsic to the mathematical concepts it uses. Among the fields which use AI techniques, is drug development, and more specifically drug repurposing. DR involves finding a new indication for an existing drug. The hypotheses generated by DR techniques must be validated. Therefore, the mechanism of generation must be understood. In this paper, we describe the use of a state-of-the-art neuro-symbolic algorithm in order to explain the process of link prediction in a knowledge graph-based computational drug repurposing. Link prediction consists of generating hypotheses about the relationships between a known molecule and a given target. More specifically, the implemented approach allows to understand how the organization of data in a knowledge graph changes the quality of predictions.

Paper Citation

in Harvard Style

Drancé M., Boudin M., Mougin F. and Diallo G. (2021). Neuro-symbolic XAI for Computational Drug Repurposing. In Proceedings of the 13th International Joint Conference on Knowledge Discovery, Knowledge Engineering and Knowledge Management (IC3K 2021) - Volume 2: KEOD; ISBN 978-989-758-533-3, SciTePress, pages 220-225. DOI: 10.5220/0010714100003064

in Bibtex Style

@conference{keod21,
author={Martin Drancé and Marina Boudin and Fleur Mougin and Gayo Diallo},
title={Neuro-symbolic XAI for Computational Drug Repurposing},
booktitle={Proceedings of the 13th International Joint Conference on Knowledge Discovery, Knowledge Engineering and Knowledge Management (IC3K 2021) - Volume 2: KEOD},
year={2021},
pages={220-225},
publisher={SciTePress},
organization={INSTICC},
doi={10.5220/0010714100003064},
isbn={978-989-758-533-3},
}

in EndNote Style

TY - CONF

JO - Proceedings of the 13th International Joint Conference on Knowledge Discovery, Knowledge Engineering and Knowledge Management (IC3K 2021) - Volume 2: KEOD
TI - Neuro-symbolic XAI for Computational Drug Repurposing
SN - 978-989-758-533-3
AU - Drancé M.
AU - Boudin M.
AU - Mougin F.
AU - Diallo G.
PY - 2021
SP - 220
EP - 225
DO - 10.5220/0010714100003064
PB - SciTePress