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. 2020 Mar 12;25(6):1292. doi: 10.3390/molecules25061292

Table 1.

Distribution of 87 anticancer inhibitors [60] into training and validation sets.

Split #1 Training set = 1, 4, 6, 7, 8, 9, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 23, 25, 27, 29, 30, 31, 33, 34, 36, 37, 38, 40, 41, 42, 45, 46, 48, 51, 52, 54, 55, 56, 57, 59, 60, 61, 63, 64, 65, 67, 69, 70, 73, 74, 75, 77, 90, 94, 98, 99, 109, 112, 116, 117, 118, 120, 121, 122, 123, 124, 126, 130, 136;
Validation set = 2, 3, 5, 10, 11, 22, 26, 32, 35, 39, 43, 47, 68, 71, 92, 103, 125, 143
Split #2 Training set = 1, 6, 7, 8, 9, 12, 13, 14, 15, 16, 18, 19, 23, 25, 27, 31, 33, 34, 36, 40, 41, 42, 45, 46, 48, 51, 54, 55, 56, 57, 59, 61, 63, 65, 67, 69, 73, 74, 75, 77, 98, 109, 112, 116, 117, 121, 123, 124, 130, 136, 5, 10, 11, 22, 26, 32, 39, 43, 47, 68, 71, 92, 103, 125, 143;
Validation set = 4, 17, 20, 21, 29, 30, 37, 38, 52, 60, 64, 70, 90, 94, 99, 118, 120, 122, 126, 2, 3, 35
Split #3 Training set = 1, 4, 6, 7, 8, 9, 12, 13, 14, 15, 16, 17, 18, 19, 21, 23, 25, 27, 29, 31, 36, 37, 38, 40, 41, 42, 45, 48, 51, 54, 56, 57, 59, 60, 64, 65, 69, 70, 73, 74, 75, 77, 94, 98, 99, 109, 116, 118, 121, 124, 130, 136, 2, 5, 10, 11, 26, 32, 35, 39, 43, 47, 68, 71, 125, 143;
Validation set = 20, 30, 33, 34, 46, 52, 55, 61, 63, 67, 90, 112, 117, 120, 122, 123, 126, 3, 22, 92, 103