Atomic physicochemical parameters for three-dimensional-structure-directed quantitative structure-activity relationships. 2. Modeling dispersive and hydrophobic interactions
By A. Ghose, G. Crippen. 1987
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- Distributed Representation of Chemical Fragments (2018, methodology): “Two separate training sets (Data section) were used for this purpose.(4,5) Regression coefficients of the atoms of a fragment and the intercept term were added to compute LogP/MR of the fragment.”