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
Descripción
Sumario: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.

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