DE3014504: Simulated carbon and proton NMR chemical shift based binary fingerprints for virtual screening
The invention discloses a method to generate and analyse NMR chemical shift-based binary fingerprints for virtual high throughput screening in drug discovery. Further, the invention provides a method to analyse NMR chemical shifts based binary fingerprints that have implications for encoding several properties of a molecule besides the basic framework or scaffold and determining its propensity towards a particular bioactivity class.
Patent No:
DE3014504
Application No:
14755416
Filing Date:
23-12-2015
Issue Date:
12-04-2017
Applicant:
CSIR-National Chemical Laboratory (CSIR-NCL), Pune
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