从大数据到人工智能：化学信息学面临新挑战。
From Big Data to Artificial Intelligence: chemoinformatics meets new challenges.
作者信息
Tetko Igor V, Engkvist Ola
机构信息
Helmholtz Zentrum München-German Research Center for Environmental Health (GmbH), Institute of Structural Biology, Ingolstädter Landstraße 1, 85764, Neuherberg, Germany.
BIGCHEM GmbH, Valerystr. 49, 85716, Unterschleißheim, Germany.
出版信息
J Cheminform. 2020 Dec 18;12(1):74. doi: 10.1186/s13321-020-00475-y.
Abstract
The increasing volume of biomedical data in chemistry and life sciences requires development of new methods and approaches for their analysis. Artificial Intelligence and machine learning, especially neural networks, are increasingly used in the chemical industry, in particular with respect to Big Data. This editorial highlights the main results presented during the special session of the International Conference on Neural Networks organized by "Big Data in Chemistry" project and draws perspectives on the future progress of the field.
摘要
化学和生命科学领域生物医学数据量的不断增加，需要开发新的方法和途径来进行分析。人工智能和机器学习，尤其是神经网络，在化学工业中的应用越来越广泛，特别是在大数据方面。这篇社论重点介绍了由“化学大数据”项目组织的神经网络国际会议特别会议期间展示的主要成果，并展望了该领域未来的进展。
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