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|31 Steroids Binding to the Corticosteroid Binding Globulin (CBG) Receptor|
This dataset was first compiled by Cramer et al.1 for the presentation of the CoMFA method. A subset of the data containing the first 21 steroids is distributed with the Sybyl program package.2 Richards et al.3 used the same data for similarity calculations; it is distributed as an example file with the ASP program package.4 Comparison of all these printed or computer-coded versions of the dataset shows several errors in structure coding. Thus, the dataset was carefully recompiled by returning to the original literature.5 The 3D coordinates were calculated by the 3D structure generator CORINA.
This dataset was used in our group to model the corticosteroid binding globulin receptor activity with autocorrelation of molecular surface properties and neural networks.6 The dataset has been extensively studied by different methods in several research groups. A critical appraisal of all this work and fthi dataset is given in 7.
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