药物发现中机器学习的新视角

Title:New Perspectives on Machine Learning in Drug Discovery

Volume: 28 Issue: 32

关键词: 机器学习、人工智能、药物再利用、虚拟筛选、ADMET、合成规划、个性化医疗、药物设计。

摘要: Artificial intelligence methods, in particular, machine learning, has been playing a pivotal role in drug development, from structural design to the clinical trial. This approach is harnessing the impact of computer-aided drug discovery due to large available data sets for drug candidates and its new and complex manner of information interpretation to identify patterns for the study scope. In the present review, recent applications related to drug discovery and therapies are assessed, and limitations and future perspectives are analyzed.

Cite this article as:

New Perspectives on Machine Learning in Drug Discovery, Current Medicinal Chemistry 2021; 28 (32) . https://dx.doi.org/10.2174/0929867327666201111144048