Výsledky vyhledávání - "Wilke, Claus"

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Mining Patents with Large Language Models Elucidates the Chemical Function Landscape

Autor: Kosonocky, Clayton W., Wilke, Claus O., Marcotte, Edward M., Ellington, Andrew D.

The fundamental goal of small molecule discovery is to generate chemicals with target functionality. While this often proceeds through structure-based methods, we set out to investigate the practicality of orthogonal methods that leverage the extensi

Externí odkaz: http://arxiv.org/abs/2309.08765

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Prompt Engineering for Transformer-based Chemical Similarity Search Identifies Structurally Distinct Functional Analogues

Autor: Kosonocky, Clayton W., Feller, Aaron L., Wilke, Claus O., Ellington, Andrew D.

Chemical similarity searches are widely used in-silico methods for identifying new drug-like molecules. These methods have historically relied on structure-based comparisons to compute molecular similarity. Here, we use a chemical language model to c

Externí odkaz: http://arxiv.org/abs/2305.16330

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Akademický článek

Single-Cell Virology: On-Chip, Quantitative Characterization of the Dynamics of Virus Spread from One Single Cell to Another.

Autor: Liu, Wu^1,2 (AUTHOR), Wilke, Claus O.³ (AUTHOR), Arnold, Jamie J.^1,4 (AUTHOR), Sotoudegan, Mohamad S.^4,5 (AUTHOR) mohamad_sotoudegan@med.unc.edu, Cameron, Craig E.^1,4 (AUTHOR) mohamad_sotoudegan@med.unc.edu

Publikováno v: Viruses (1999-4915). Nov2024, Vol. 16 Issue 11, p1659. 12p.

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Akademický článek

Using alternative SMILES representations to identify novel functional analogues in chemical similarity vector searches

Autor: Kosonocky, Clayton W., Feller, Aaron L., Wilke, Claus O., Ellington, Andrew D.

Publikováno v: In Patterns 8 December 2023 4(12)

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colorspace: A Toolbox for Manipulating and Assessing Colors and Palettes

Autor: Zeileis, Achim, Fisher, Jason C., Hornik, Kurt, Ihaka, Ross, McWhite, Claire D., Murrell, Paul, Stauffer, Reto, Wilke, Claus O.

Publikováno v: Journal of Statistical Software, Volume 96, Issue 1 (2020), 1-49

The R package colorspace provides a flexible toolbox for selecting individual colors or color palettes, manipulating these colors, and employing them in statistical graphics and data visualizations. In particular, the package provides a broad range o

Externí odkaz: http://arxiv.org/abs/1903.06490

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