Meng Huan-Yu, Jin Wan-Lin, Yan Cheng-Kai, Yang Huan
Department of Neurology, Xiangya Hospital of Central South University, Changsha, China.
Curr Comput Aided Drug Des. 2019;15(2):111-119. doi: 10.2174/1573409914666180525124608.
The development of a novel drug is an extremely complicated process that includes the target identification, design and manufacture, and proper therapy of the novel drug, as well as drug dose selection, drug efficacy evaluation, and adverse drug reaction control. Due to the limited resources, high costs, long duration, and low hit-to-lead ratio in the development of pharmacogenetics and computer technology, machine learning techniques have assisted novel drug development and have gradually received more attention by researchers.
According to current research, machine learning techniques are widely applied in the process of the discovery of new drugs and novel drug targets, the decision surrounding proper therapy and drug dose, and the prediction of drug efficacy and adverse drug reactions.
In this article, we discussed the history, workflow, and advantages and disadvantages of machine learning techniques in the processes mentioned above. Although the advantages of machine learning techniques are fairly obvious, the application of machine learning techniques is currently limited. With further research, the application of machine techniques in drug development could be much more widespread and could potentially be one of the major methods used in drug development.
新型药物的研发是一个极其复杂的过程,包括靶点识别、新型药物的设计与制造以及合理治疗,还涉及药物剂量选择、药物疗效评估和药物不良反应控制。由于药物遗传学和计算机技术研发资源有限、成本高、耗时久且命中率低,机器学习技术已助力新型药物研发,并逐渐受到研究人员更多关注。
根据当前研究,机器学习技术广泛应用于新药和新型药物靶点发现过程、合理治疗与药物剂量决策以及药物疗效和药物不良反应预测。
在本文中,我们讨论了机器学习技术在上述过程中的历史、工作流程以及优缺点。尽管机器学习技术的优势相当明显,但目前其应用有限。随着进一步研究,机器学习技术在药物研发中的应用可能会更加广泛,并且有可能成为药物研发中使用的主要方法之一。