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4 results in Keywords: molecular complexity

Organic Chemistry

Exploring and Mapping Chemical Space with Molecular Assembly Trees

Yu Liu, Cole Mathis, stuart Marshall, Michał Dariusz Bajczyk, Liam Wilbraham, Leroy Cronin

Version 2 posted 05 May 2021

1,629

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Analytical Chemistry

Identifying Molecules as Biosignatures with Assembly Theory and Mass Spectrometry

stuart Marshall, Cole Mathis, Emma Carrick, Graham Keenan, Geoffrey Cooper, Heather Graham, Jessica Bame, Matthew Craven, Nicola Bell, Piotr S. Gromski, Marcel Swart, Douglas G. Moore, Sara Walker, Leroy Cronin

Version 1 posted 16 November 2020

1,261

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Organic Chemistry

EvolvedComplexity as a Total Synthesis Assessment Metric: Strychnine as a Case Study of Scoring Functions

Abbigayle Cuomo, John-Paul Webster, H. Ray Kelly, Sumon Sarkar, Yu Shee, Sanil Sreekumar, Haote Li, Frederic Buono, Victor Batista, Timothy Newhouse

Version 1 posted 29 January 2025

509

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Organic Chemistry

Analysis of the change in molecular complexity of reaction products in process development activities at AstraZeneca over time.

George Karageorgis, James Douglas, Gareth Howell

Version 1 posted 17 May 2024

350

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1

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