Computer Aided Drug Design and Molecular Modelling Lab, Department of Bioinformatics, Science Block, Alagappa University, Karaikudi, Tamil Nadu, India.
Department of Data Sciences, Centre of Biomedical Research, SGPGIMS Campus, Lucknow, Uttar Pradesh, India.
Methods Mol Biol. 2024;2714:203-213. doi: 10.1007/978-1-0716-3441-7_12.
Cheminformatics and its role in drug discovery is expected to be the privileged approach in handling large number of chemical datasets. This approach contributes toward the pharmaceutical development and assessment of chemical compounds at a faster rate efficiently. Additionally, as technological advancement impacts research, cheminformatics is being used more and more in the field of health science. This chapter describes the concepts of cheminformatics along with its involvement in drug discovery with a case study.
化学信息学及其在药物发现中的作用有望成为处理大量化学数据集的主要方法。这种方法有助于以更快的速度有效地促进药物开发和评估化合物。此外，随着技术进步对研究的影响，化学信息学在健康科学领域的应用越来越多。本章描述了化学信息学的概念及其在药物发现中的应用，并结合案例研究进行了说明。
