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3 results in Keywords: bayesian

Physical Chemistry

Using Bayesian Model Selection to Advise Neutron Reflectometry Analysis from Langmuir-Blodgett Monolayers

Andrew McCluskey, Tom Arnold, Joshaniel F. K. Cooper, Tim Snow

Version 1 posted 25 October 2019

490

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Theoretical and Computational Chemistry

A Very Large-Scale Bioactivity Comparison of Deep Learning and Multiple Machine Learning Algorithms for Drug Discovery

Thomas R. Lane, Daniel H. Foil, Eni Minerali, Fabio Urbina, Kimberley M. Zorn, sean ekins

Version 1 posted 10 August 2020

809

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Theoretical and Computational Chemistry

Race to the bottom: Bayesian optimisation for chemical problems

Yifan Wu, Aron Walsh, Alex Ganose

Version 1 posted 06 December 2023

618

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1

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