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. Author manuscript; available in PMC: 2018 May 30.
Published in final edited form as: J Chem Inf Model. 2018 May 10;58(5):943–956. doi: 10.1021/acs.jcim.7b00641

Table 2.

Number of drugs in the training sets and the external validation sets.

CV complication Training set
External validation set
Positive Negative Total Positive Negative Total
Hypertension 581 581 1,162 145 145 290
Arrhythmia 725 725 1,450 71 71 142
Heart block 272 272 544 201 201 402
Cardiac failure 315 315 630 270 270 540
Myocardial infarction 319 319 638 89 89 178