关键词: Data mining Databases Drug discovery Lead optimization Machine learning Molecular docking Molecular dynamics simulation Network analysis Personalized medicine Pharmacophore modelling QSAR modelling Virtual screening

Mesh : Cheminformatics Drug Discovery Precision Medicine

来  源:   DOI:10.1016/bs.apcsb.2023.11.003

Abstract:
The integration of computational resources and chemoinformatics has revolutionized translational health research. It has offered a powerful set of tools for accelerating drug discovery. This chapter overviews the computational resources and chemoinformatics methods used in translational health research. The resources and methods can be used to analyze large datasets, identify potential drug candidates, predict drug-target interactions, and optimize treatment regimens. These resources have the potential to transform the drug discovery process and foster personalized medicine research. We discuss insights into their various applications in translational health and emphasize the need for addressing challenges, promoting collaboration, and advancing the field to fully realize the potential of these tools in transforming healthcare.
摘要:
计算资源和化学信息学的整合彻底改变了转化健康研究。它为加速药物发现提供了一套强大的工具。本章概述了转化健康研究中使用的计算资源和化学信息学方法。资源和方法可用于分析大型数据集,确定潜在的候选药物,预测药物-靶标相互作用,优化治疗方案。这些资源有可能改变药物发现过程并促进个性化医学研究。我们讨论了他们在转化健康中的各种应用的见解,并强调应对挑战的必要性,促进合作,并推进该领域,以充分发挥这些工具在转变医疗保健方面的潜力。
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