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Molecules ; 25(22)2020 Nov 12.
Artigo em Inglês | MEDLINE | ID: mdl-33198233

RESUMO

The advancements of information technology and related processing techniques have created a fertile base for progress in many scientific fields and industries. In the fields of drug discovery and development, machine learning techniques have been used for the development of novel drug candidates. The methods for designing drug targets and novel drug discovery now routinely combine machine learning and deep learning algorithms to enhance the efficiency, efficacy, and quality of developed outputs. The generation and incorporation of big data, through technologies such as high-throughput screening and high through-put computational analysis of databases used for both lead and target discovery, has increased the reliability of the machine learning and deep learning incorporated techniques. The use of these virtual screening and encompassing online information has also been highlighted in developing lead synthesis pathways. In this review, machine learning and deep learning algorithms utilized in drug discovery and associated techniques will be discussed. The applications that produce promising results and methods will be reviewed.


Assuntos
Biologia Computacional/métodos , Descoberta de Drogas/métodos , Aprendizado de Máquina , Algoritmos , Teorema de Bayes , Bases de Dados Factuais , Aprendizado Profundo , Humanos , Internet , Método de Monte Carlo , Reprodutibilidade dos Testes , Software , Máquina de Vetores de Suporte
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