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            The
            reference publication for the CS-NPSA program package : 
            Rabin Dhakal, Reed Nieman, Daniel C.A. Valente, Thiago M. Cardozo, Bhumika Jayee, Amna Aqdas, Wenjing Peng, Adelia J.A. Aquino, Yehia Mechref, Hans Lischka, Hanna
            Moussa, A general new method for calculating the molecular nonpolar surface for analysis of LC-MS data,
            International Journal of Mass Spectrometry, Volume 461, 2021, 116495,
            https://doi.org/10.1016/j.ijms.2020.116495 
            
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