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Group contribution approaches melting point

An extensive series of studies for the prediction of aqueous solubility has been reported in the literature, as summarized by Lipinski et al. [15] and jorgensen and Duffy [16]. These methods can be categorized into three types 1 correlation of solubility with experimentally determined physicochemical properties such as melting point and molecular volume 2) estimation of solubility by group contribution methods and 3) correlation of solubility with descriptors derived from the molecular structure by computational methods. The third approach has been proven to be particularly successful for the prediction of solubility because it does not need experimental descriptors and can therefore be applied to collections of virtual compounds also. [Pg.495]

Zhao, L. and Yalkowsky, S.H. (1999) A combined group contribution and molecular geometry approach for predicting melting points of aliphatic compounds. Ind. Eng. Chem. Res., 38, 3581-3584. [Pg.1207]


See other pages where Group contribution approaches melting point is mentioned: [Pg.966]    [Pg.43]    [Pg.93]    [Pg.207]    [Pg.655]    [Pg.657]    [Pg.129]    [Pg.673]    [Pg.239]    [Pg.281]    [Pg.78]    [Pg.102]    [Pg.749]    [Pg.281]    [Pg.738]   
See also in sourсe #XX -- [ Pg.2 , Pg.655 ]

See also in sourсe #XX -- [ Pg.655 ]




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