WOMBAT target types

Fig. 9.1 Bioactivity distribution pie charts in WOMBAT 2004.1, classified by target type. The size of the pie chart is proportional to the representation of each target class in the database.

Example 1. A question that arises often in preclinical pharmaceutical research is how well does an observed biological activity measured in animals match the same activity in humans. WOMBAT 2004.1 contains 29 263 entries with human as the biological species and 27 229 entries as rat . Their intersection, 2339 records, contains measurements from the same research groups, as the query selects only records where only human and rat activities were reported in the same paper. After trimming the dataset to force the same target and the same activity type (e.g., Kj or IC50), we are... 

WOMBAT 2006.1 contains 154 236 entries (136 091 unique SMILES Simplified Molecular Input Line Entry System [17, 18]), covering 6801 series from over 6791 papers with more than 307 700 activities for 1320 unique targets. All biological activities are automatically converted to the — log10 of the molar concentration, regardless of activity type. Numerical values for activity are stored in three fields the additional two fields capture the experimental error, when reported1 . Besides exact numeric values (the vast majority), WOMBAT... 

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