Machine Learning in Drug Discovery and Development Part 1: A Primer

Artificial intelligence, in particular machine learning (ML), has emerged as a key promising pillar to overcome the high failure rate in drug development. Here, we present a primer on the ML algorithms most commonly used in drug discovery and development. We also list possible data sources, describ...

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Detalles Bibliográficos
Autores principales: Talevi, Alan, Morales, Juan Francisco, Hather, Gregory, Podichetty, Jagdeep T., Kim, Sarah, Bloomingdale, Peter C., Kim, Samuel, Burton, Jackson, Brown, Joshua D., Winterstein, Almut G., Schmidt, Stephan, White, Jensen Kael, Conrado, Daniela J.
Formato: Articulo
Lenguaje:Inglés
Publicado: 2020
Materias:
Química
Machine learning
Algorithms
Drug development
Tutorial
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/119195
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-119195
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Química
Machine learning
Algorithms
Drug development
Tutorial
spellingShingle Química
Machine learning
Algorithms
Drug development
Tutorial
Talevi, Alan
Morales, Juan Francisco
Hather, Gregory
Podichetty, Jagdeep T.
Kim, Sarah
Bloomingdale, Peter C.
Kim, Samuel
Burton, Jackson
Brown, Joshua D.
Winterstein, Almut G.
Schmidt, Stephan
White, Jensen Kael
Conrado, Daniela J.
Machine Learning in Drug Discovery and Development Part 1: A Primer
topic_facet Química
Machine learning
Algorithms
Drug development
Tutorial
description Artificial intelligence, in particular machine learning (ML), has emerged as a key promising pillar to overcome the high failure rate in drug development. Here, we present a primer on the ML algorithms most commonly used in drug discovery and development. We also list possible data sources, describe good practices for ML model development and validation, and share a reproducible example. A companion article will summarize applications of ML in drug discovery, drug development, and postapproval phase.
format Articulo
Articulo
author Talevi, Alan
Morales, Juan Francisco
Hather, Gregory
Podichetty, Jagdeep T.
Kim, Sarah
Bloomingdale, Peter C.
Kim, Samuel
Burton, Jackson
Brown, Joshua D.
Winterstein, Almut G.
Schmidt, Stephan
White, Jensen Kael
Conrado, Daniela J.
author_facet Talevi, Alan
Morales, Juan Francisco
Hather, Gregory
Podichetty, Jagdeep T.
Kim, Sarah
Bloomingdale, Peter C.
Kim, Samuel
Burton, Jackson
Brown, Joshua D.
Winterstein, Almut G.
Schmidt, Stephan
White, Jensen Kael
Conrado, Daniela J.
author_sort Talevi, Alan
title Machine Learning in Drug Discovery and Development Part 1: A Primer
title_short Machine Learning in Drug Discovery and Development Part 1: A Primer
title_full Machine Learning in Drug Discovery and Development Part 1: A Primer
title_fullStr Machine Learning in Drug Discovery and Development Part 1: A Primer
title_full_unstemmed Machine Learning in Drug Discovery and Development Part 1: A Primer
title_sort machine learning in drug discovery and development part 1: a primer
publishDate 2020
url http://sedici.unlp.edu.ar/handle/10915/119195
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