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5 results in Keywords: NLP

Theoretical and Computational Chemistry

Proteochemometric Models Using Multiple Sequence Alignments and a Subword Segmented Masked Language Model

Héléna Alexandra Gaspar, Mohamed Ahmed, Thomas Edlich, Benedek Fabian, Zsolt Varszegi, Marwin Segler, Joshua Meyers, Marco Fiscato

Version 1 posted 20 May 2021

759

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1

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Materials Science

NLP meets Materials Science: Quantifying the presentation of materials data in scientific literature

Hasan M. Sayeed, Wade Smallwood, Sterling G. Baird, Taylor D. Sparks

Version 3 posted 29 December 2023

558

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Theoretical and Computational Chemistry

Extracting Structured Data from Organic Synthesis Procedures Using a Fine-Tuned Large Language Model

Qianxiang Ai, Fanwang Meng, Jiale Shi, Brenden Pelkie, Connor W. Coley

Version 1 posted 08 April 2024

1,130

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1

Citations

Materials Chemistry

Uncertainty Informed Screening for Safer Solvents used in the Synthesis of Perovskite Based Solar Cells via Machine Learning

Deepesh Giri, Arpan Mukherjee, Krishna Rajan

Version 1 posted 24 August 2022

256

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Theoretical and Computational Chemistry

Ionic species representations for materials informatics

Anthony Onwuli, Keith T. Butler, Aron Walsh

Version 1 posted 05 August 2024

498

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