SMILES Pair Encoding: A Data-Driven Substructure Tokenization Algorithm for Deep Learning (Q114857951)

https://api.crossref.org/v1/works/https://doi.org/10.1021/acs.jcim.0c01127

25 October 2022

title

SMILES Pair Encoding: A Data-Driven Substructure Tokenization Algorithm for Deep Learning (English)

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https://api.crossref.org/v1/works/https://doi.org/10.1021/acs.jcim.0c01127

25 October 2022

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https://api.crossref.org/v1/works/https://doi.org/10.1021/acs.jcim.0c01127

25 October 2022

author name string

Xinhao Li

series ordinal

1

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https://api.crossref.org/v1/works/https://doi.org/10.1021/acs.jcim.0c01127

25 October 2022

publication date

15 March 2021

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https://api.crossref.org/v1/works/https://doi.org/10.1021/acs.jcim.0c01127

Journal of Chemical Information and Modeling

25 October 2022

language of work or name

English

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published in

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https://api.crossref.org/v1/works/https://doi.org/10.1021/acs.jcim.0c01127

25 October 2022

volume

61

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25 October 2022

issue

4

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25 October 2022

page(s)

1560-1569

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Inductive transfer learning for molecular activity prediction: Next-Gen QSAR Models with MolPMoFiT

25 October 2022

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Randomized SMILES strings improve the quality of molecular generative models

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SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

25 March 2023

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https://opencitations.net/index/api/v1/citations/10.1021/CI00057A005

SMILES. 2. Algorithm for generation of unique SMILES notation

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Randomized SMILES Strings Improve the Quality of Molecular Generative Models

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DeepSMILES: An Adaptation of SMILES for Use in Machine-Learning of Chemical Structures

24 May 2025

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24 March 2026

Identifiers

10.1021/ACS.JCIM.0C01127

1 reference

https://api.crossref.org/v1/works/https://doi.org/10.1021/acs.jcim.0c01127