Relative molecule self-attention transformer

Relative molecule self-attention transformer

Abstract The prediction of molecular properties is a crucial aspect in drug discovery that can save a lot of money and time during the drug design process. The use of machine learning methods to predict molecular properties has become increasingly popular in recent years. Despite advancements in the...

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Main Authors: Łukasz Maziarka, Dawid Majchrowski, Tomasz Danel, Piotr Gaiński, Jacek Tabor, Igor Podolak, Paweł Morkisz, Stanisław Jastrzębski
Format: Article
Language:English
Published: BMC 2024-01-01
Series:Journal of Cheminformatics
Subjects:
Molecular property prediction
Molecular self-attention
Neural networks pre-training
Online Access:https://doi.org/10.1186/s13321-023-00789-7

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