Predicting Molecule Toxicity via Descriptor-Based Graph Self-Supervised Learning

Author:

Li Xinze1ORCID,Makarov Ilya2ORCID,Kiselev Dmitrii1ORCID

Affiliation:

1. School of Data Analysis and Artificial Intelligence, HSE University, Moscow, Russia

2. Artificial Intelligence Research Institute (AIRI), Moscow, Russia

Funder

HSE University Basic Research Program

“Digital Business” within the framework of the Strategic Academic Leadership Program “Priority 2030” at National University of Science and Technology (NUST) MISiS

Publisher

Institute of Electrical and Electronics Engineers (IEEE)

Subject

General Engineering,General Materials Science,General Computer Science,Electrical and Electronic Engineering

Reference50 articles.

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4. A simple framework for contrastive learning of visual representations;chen;Proc Int Conf Mach Learn,2020

5. BERT: Pre-training of deep bidirectional transformers for language understanding;devlin;arXiv 1810 04805,2018

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