首页>
外国专利>
Simulated carbon and proton NMR chemical shifts based binary fingerprints for virtual screening
Simulated carbon and proton NMR chemical shifts based binary fingerprints for virtual screening
展开▼
机译:基于碳和质子NMR化学位移的模拟二值指纹进行虚拟筛选
展开▼
页面导航
摘要
著录项
相似文献
摘要
The invention discloses a method to generate and analyze NMR chemical shift based binary fingerprints for virtual high throughput screening in drug discovery. Further, the invention provides a method to analyze NMR chemical shifts based binary fingerprints that has implications for encoding several properties of a molecule besides the basic framework or scaffold and determine its propensity towards a particular bioactivity class.
展开▼