作者
Pauric Bannigan, Matteo Aldeghi, Zeqing Bao, Florian Häse, Alan Aspuru-Guzik, Christine Allen
发表日期
2021/8/1
来源
Advanced Drug Delivery Reviews
卷号
175
页码范围
113806
出版商
Elsevier
简介
Machine learning (ML) has enabled ground-breaking advances in the healthcare and pharmaceutical sectors, from improvements in cancer diagnosis, to the identification of novel drugs and drug targets as well as protein structure prediction. Drug formulation is an essential stage in the discovery and development of new medicines. Through the design of drug formulations, pharmaceutical scientists can engineer important properties of new medicines, such as improved bioavailability and targeted delivery. The traditional approach to drug formulation development relies on iterative trial-and-error, requiring a large number of resource-intensive and time-consuming in vitro and in vivo experiments. This review introduces the basic concepts of ML-directed workflows and discusses how these tools can be used to aid in the development of various types of drug formulations. ML-directed drug formulation development …
引用总数
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P Bannigan, M Aldeghi, Z Bao, F Häse, A Aspuru-Guzik… - Advanced Drug Delivery Reviews, 2021