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Materials Science

Working Paper

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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Materials Chemistry

Working Paper

Large Language Models for Inorganic Synthesis Predictions

Seongmin Kim, Yousung Jung, Joshua Schrier

Version 3 posted 17 June 2024

1,149

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Theoretical and Computational Chemistry

Working Paper

Dissecting Errors in Machine Learning for Retrosynthesis: A Granular Metric Framework and Transformer-Based Model for More Informative Predictions

Arihanth Srikar Tadanki, H. Surya Prakash Rao, U. Deva Priyakumar

Version 1 posted 01 July 2024

158

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Theoretical and Computational Chemistry

Working Paper

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

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Theoretical and Computational Chemistry

Working Paper

Leveraging Large Language Models for Predictive Chemistry

Kevin Maik Jablonka, Philippe Schwaller, Andres Ortega-Guerrero, Berend Smit

Version 3 posted 17 October 2023

11,289

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3

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Biological and Medicinal Chemistry

Working Paper

Can Large Language Models Predict Antimicrobial Peptide Activity and Toxicity?

Markus Orsi, Jean-Louis Reymond

Version 2 posted 12 March 2024

893

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Materials Science

Working Paper

Retrieval augmented generation for building datasets from scientific literature

Piyush Ranjan Maharana, Kavita Joshi

Version 1 posted 20 November 2024

0

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7 results in LLM in Keywords: LLM

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

Large Language Models for Inorganic Synthesis Predictions

Dissecting Errors in Machine Learning for Retrosynthesis: A Granular Metric Framework and Transformer-Based Model for More Informative Predictions

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

Leveraging Large Language Models for Predictive Chemistry

Can Large Language Models Predict Antimicrobial Peptide Activity and Toxicity?

Retrieval augmented generation for building datasets from scientific literature

7 results in Keywords: LLM