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. Author manuscript; available in PMC: 2020 Dec 15.
Published in final edited form as: AAPS J. 2018 Mar 21;20(3):54. doi: 10.1208/s12248-018-0215-8

Table 1.

Number of compounds in each training/test set pair

Proportion
of Training
Set		 Compounds in Training Set Compounds in Test set
BBB+ BBB− Total BBB+ BBB− Total
Dataset A 80% 1026 248 1274 257 62 319
75% 962 232 1194 321 78 399
66% 846 205 1051 437 105 542
50% 641 155 796 642 155 797
Dataset B 80% 1240 352 1592 310 88 398
75% 1162 330 1492 388 110 498
66% 1023 290 1313 527 150 677
50% 775 220 995 775 220 995