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Table 1 Dataset characteristics: number of compounds, distribution of activities and chemical similarity within the dataset

From: Quantitative prediction of selectivity between the A1 and A2A adenosine receptors

DatasetDescriptionTotal number of compoundsActivity (pActivity)Similarity (tanimoto FCFP4)
ProteinMinMedianMaxMean
A1AR bioactivity datasetCompounds with measured activity for the A1AR2774A1AR4.056.4310.520.18
A2AAR bioactivity datasetCompounds with measured activity for the A2AAR3123A2AAR4.006.9111.000.18
A1AR/A2AAR datasetCompounds with measured activity for both the A1AR and A2AAR with classification A1AR/A2AAR/dual/non-binder1106A1AR4.336.5210.520.19
A2AAR4.306.8310.80
Semi-selective compoundsCompounds with measured activity for both the A1AR and A2AAR that do not fit into a class855A1AR4.376.3710.020.20
A2AAR4.347.0910.38