Toward machine learning-enhanced high-throughput experimentation for chemistry

High-throughput experimentation in chemistry allows for quick and automated exploration of chemical space to, for example, discover new drugs. Combining machine learning techniques with high-throughput experimentation has the potential to speed up and improve chemical space exploration and optimizat...

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Detalles Bibliográficos
Autor principal: Callaghan, Sarah
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2021
Materias:
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Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7961180/
https://www.ncbi.nlm.nih.gov/pubmed/33748798
http://dx.doi.org/10.1016/j.patter.2021.100221
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author Callaghan, Sarah
author_facet Callaghan, Sarah
author_sort Callaghan, Sarah
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description High-throughput experimentation in chemistry allows for quick and automated exploration of chemical space to, for example, discover new drugs. Combining machine learning techniques with high-throughput experimentation has the potential to speed up and improve chemical space exploration and optimization.
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spelling pubmed-79611802021-03-19 Toward machine learning-enhanced high-throughput experimentation for chemistry Callaghan, Sarah Patterns (N Y) Preview High-throughput experimentation in chemistry allows for quick and automated exploration of chemical space to, for example, discover new drugs. Combining machine learning techniques with high-throughput experimentation has the potential to speed up and improve chemical space exploration and optimization. Elsevier 2021-03-12 /pmc/articles/PMC7961180/ /pubmed/33748798 http://dx.doi.org/10.1016/j.patter.2021.100221 Text en © 2021 The Author http://creativecommons.org/licenses/by-nc-nd/4.0/ This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Preview
Callaghan, Sarah
Toward machine learning-enhanced high-throughput experimentation for chemistry
title Toward machine learning-enhanced high-throughput experimentation for chemistry
title_full Toward machine learning-enhanced high-throughput experimentation for chemistry
title_fullStr Toward machine learning-enhanced high-throughput experimentation for chemistry
title_full_unstemmed Toward machine learning-enhanced high-throughput experimentation for chemistry
title_short Toward machine learning-enhanced high-throughput experimentation for chemistry
title_sort toward machine learning-enhanced high-throughput experimentation for chemistry
topic Preview
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7961180/
https://www.ncbi.nlm.nih.gov/pubmed/33748798
http://dx.doi.org/10.1016/j.patter.2021.100221
work_keys_str_mv AT callaghansarah towardmachinelearningenhancedhighthroughputexperimentationforchemistry

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