First step in a spectral analysis is to detect the characteristic structural fragments and their corresponding chemical shift values. Traditionally structure elucidation of a given organic compound, either synthesized or naturally occurring is assisted by NMR mainly 1H and 13Cspectroscopy. BACKGROUND AND PRIOR ART OF THE INVENTION More particularly, the invention provides a method to analyze NMR chemical shifts based binary fingerprints that have implications for encoding several properties of a molecule besides the basic framework or scaffold to determine its propensity towards a particular bioactivity class. This invention relates to a method to identify/analyze NMR (Nuclear Magnetic Resonance) chemical shifts based binary fingerprints for virtual high throughput screening in drug discovery. 25, 2013, the disclosures of which are incorporated by reference in their entirety. 25, 2014, which claims priority to Indian patent application no. This application is a National Stage of International Application No.
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