Title:
Binary fingerprints of carbon by an operation for virtual screening, and a proton NMR chemical shift base
Document Type and Number:
Japanese Patent JP6211182
Kind Code:
B2
Abstract:
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.
Inventors:
Mutuk Marasami Cartikeyan
Renu Vias
Pattu Paranville Ramanpirai Rajamohanan
Renu Vias
Pattu Paranville Ramanpirai Rajamohanan
Application Number:
JP2016522930A
Publication Date:
October 11, 2017
Filing Date:
June 25, 2014
Export Citation:
Assignee:
Council of Scientific and Industrial Research
International Classes:
G01R33/32; G16C20/64
Domestic Patent References:
| JP2010508568A | ||||
| JP1287452A | ||||
| JP2002055150A | ||||
| JP2002055151A |
Foreign References:
| WO2009064015A1 | ||||
| US20100010946 |
Attorney, Agent or Firm:
Okada International Patent Office
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