MolRoPE-BERT: An enhanced molecular representation with Rotary Position Embedding for molecular property prediction-Reference-Cited by-同舟云学术

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MolRoPE-BERT: An enhanced molecular representation with Rotary Position Embedding for molecular property prediction

Published:2023-01 Issue: Volume:118 Page:108344
ISSN:1093-3263
Container-title:Journal of Molecular Graphics and Modelling
language:en
Short-container-title:Journal of Molecular Graphics and Modelling

Author:

Liu Yunwu^ORCID,Zhang Ruisheng,Li Tongfeng,Jiang Jing,Ma Jun,Wang Ping

Funder

Natural Science Foundation of Gansu Province

Publisher

Elsevier BV

Subject

Materials Chemistry,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Spectroscopy

Reference71 articles.

1. Exploiting machine learning for end-to-end drug discovery and development;Ekins;Nature Mater.,2019

2. Liggpt:Molecular generation using a transformer-decoder model;Bagal,2021

3. Molecular sets (moses): a benchmarking platform for molecular generation models;Polykovskiy;Front. Pharmacol.,2020

4. Hierarchical generation of molecular graphs using structural motifs;Jin;Int. Conf. Mach. Learn. PMLR,2020

5. Machine learning in computer-aided synthesis planning;Coley;Acc. Chem. Res.,2018

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1. Hybrid fragment-SMILES tokenization for ADMET prediction in drug discovery;BMC Bioinformatics;2024-08-01

2. Advancing drug discovery with deep attention neural networks;Drug Discovery Today;2024-08

3. Can large language models understand molecules?;BMC Bioinformatics;2024-06-26

4. Application of Transformers in Cheminformatics;Journal of Chemical Information and Modeling;2024-05-30

5. A Multi-view Molecular Pre-training with Generative Contrastive Learning;Interdisciplinary Sciences: Computational Life Sciences;2024-05-06

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