James Tim
Evotec (UK) Ltd., 114 Innovation Drive, Milton Park, Abingdon, Oxfordshire, OX14 4RZ, UK.
Methods Mol Biol. 2018;1705:395-411. doi: 10.1007/978-1-4939-7465-8_20.
Cheminformatics is a broad discipline covering a wide range of computational approaches, including the characterization of molecular similarity, pattern recognition, and predictive modeling. The unifying theme that these apparently disparate methods have in common is the aim of extracting useable information from the increasing amounts of data that are associated with contemporary drug discovery projects. Both proprietary and publically available data can be exploited to help inform and improve the process of developing novel therapeutic molecules targeting the GPCR family of proteins.
化学信息学是一门广泛的学科，涵盖了多种计算方法，包括分子相似性表征、模式识别和预测建模。这些看似不同的方法的共同主题是，从与当代药物发现项目相关的越来越多的数据中提取可用信息。专有数据和公开数据都可以被利用，以帮助为开发针对GPCR蛋白家族的新型治疗分子的过程提供信息并加以改进。
