Search for Solvated and Unsolvated Structures Solvates

The question remains as to what should be done with such a list. The Solvates procedure generates only a suitable dataset from which we might hope to obtain meaningful answers to the questions that we envisaged at the outset of the study. The particular example of the anhydrous/hydrate dataset is illustrative since it can be compared 

In the 2007 study [36], van de Streek and Motherwell considered 100864 organic-only structures (after pre-filtering at a strict quality level) of which 5972 (5.9%) were hydrates. Since the 1991 and 2007 studies were based on slightly different pre-filtering conditions, it can reasonably be concluded that the relative proportion of hydrates in the CSD has not changed dramatically over 16 years. For 5146 identified anhydrates, the average dja ratio was found to be 0.28. For 5232 hydrates, the average dja ratio was found to be 0.63. For ca. 370 molecules where both an anhydrate and a hydrate 

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