21. 2D binary fingerprints
Definition
Relevant descriptors
2D binary fingerprint descriptors have the value one(1) if there is a relevant bond at a topological distance, zero(0) if there is not. Here, the fingerprints are binary vectors that indicate "1" if each bit has a specific substructural fragment in the molecule, and "0" if not.
| No. | Descriptor |
| 1 | existence of C - C at topological distance 1 |
| 2 | existence of C - N at topological distance 1 |
| 3 | existence of C - O at topological distance 1 |
| 4 | existence of C - S at topological distance 1 |
| 5 | existence of N - N at topological distance 1 |
| 6 | existence of N - O at topological distance 1 |
| 7 | existence of N - S at topological distance 1 |
| 8 | existence of O - O at topological distance 1 |
| 9 | existence of O - S at topological distance 1 |
| 10 | existence of S - S at topological distance 1 |
| 11 | existence of C - C at topological distance 2 |
| 12 | existence of C - N at topological distance 2 |
| 13 | existence of C - O at topological distance 2 |
| 14 | existence of C - S at topological distance 2 |
| 15 | existence of N - N at topological distance 2 |
| 16 | existence of N - O at topological distance 2 |
| 17 | existence of N - S at topological distance 2 |
| 18 | existence of O - O at topological distance 2 |
| 19 | existence of O - S at topological distance 2 |
| 20 | existence of S - S at topological distance 2 |
| 21 | existence of C - C at topological distance 3 |
| 22 | existence of C - N at topological distance 3 |
| 23 | existence of C - O at topological distance 3 |
| 24 | existence of C - S at topological distance 3 |
| 25 | existence of N - N at topological distance 3 |
| 26 | existence of N - O at topological distance 3 |
| 27 | existence of N - S at topological distance 3 |
| 28 | existence of O - O at topological distance 3 |
| 29 | existence of O - S at topological distance 3 |
| 30 | existence of S - S at topological distance 3 |
| 31 | existence of C - C at topological distance 4 |
| 32 | existence of C - N at topological distance 4 |
| 33 | existence of C - O at topological distance 4 |
| 34 | existence of C - S at topological distance 4 |
| 35 | existence of N - N at topological distance 4 |
| 36 | existence of N - O at topological distance 4 |
| 37 | existence of N - S at topological distance 4 |
| 38 | existence of O - O at topological distance 4 |
| 39 | existence of O - S at topological distance 4 |
| 40 | existence of S - S at topological distance 4 |
| 41 | existence of C - C at topological distance 5 |
| 42 | existence of C - N at topological distance 5 |
| 43 | existence of C - O at topological distance 5 |
| 44 | existence of C - S at topological distance 5 |
| 45 | existence of N - N at topological distance 5 |
| 46 | existence of N - O at topological distance 5 |
| 47 | existence of N - S at topological distance 5 |
| 48 | existence of O - O at topological distance 5 |
| 49 | existence of O - S at topological distance 5 |
| 50 | existence of S - S at topological distance 5 |
| 51 | existence of C - C at topological distance 6 |
| 52 | existence of C - N at topological distance 6 |
| 53 | existence of C - O at topological distance 6 |
| 54 | existence of C - S at topological distance 6 |
| 55 | existence of N - N at topological distance 6 |
| 56 | existence of N - O at topological distance 6 |
| 57 | existence of N - S at topological distance 6 |
| 58 | existence of O - O at topological distance 6 |
| 59 | existence of O - S at topological distance 6 |
| 60 | existence of S - S at topological distance 6 |
| 61 | existence of C - C at topological distance 7 |
| 62 | existence of C - N at topological distance 7 |
| 63 | existence of C - O at topological distance 7 |
| 64 | existence of C - S at topological distance 7 |
| 65 | existence of N - N at topological distance 7 |
| 66 | existence of N - O at topological distance 7 |
| 67 | existence of N - S at topological distance 7 |
| 68 | existence of O - O at topological distance 7 |
| 69 | existence of O - S at topological distance 7 |
| 70 | existence of S - S at topological distance 7 |
| 71 | existence of C - C at topological distance 8 |
| 72 | existence of C - N at topological distance 8 |
| 73 | existence of C - O at topological distance 8 |
| 74 | existence of C - S at topological distance 8 |
| 75 | existence of N - N at topological distance 8 |
| 76 | existence of N - O at topological distance 8 |
| 77 | existence of N - S at topological distance 8 |
| 78 | existence of O - O at topological distance 8 |
| 79 | existence of O - S at topological distance 8 |
| 80 | existence of S - S at topological distance 8 |
| 81 | existence of C - C at topological distance 9 |
| 82 | existence of C - N at topological distance 9 |
| 83 | existence of C - O at topological distance 9 |
| 84 | existence of C - S at topological distance 9 |
| 85 | existence of N - N at topological distance 9 |
| 86 | existence of N - O at topological distance 9 |
| 87 | existence of N - S at topological distance 9 |
| 88 | existence of O - O at topological distance 9 |
| 89 | existence of O - S at topological distance 9 |
| 90 | existence of S - S at topological distance 9 |
| 91 | existence of C - C at topological distance 10 |
| 92 | existence of C - N at topological distance 10 |
| 93 | existence of C - O at topological distance 10 |
| 94 | existence of C - S at topological distance 10 |
| 95 | existence of N - N at topological distance 10 |
| 96 | existence of N - O at topological distance 10 |
| 97 | existence of N - S at topological distance 10 |
| 98 | existence of O - O at topological distance 10 |
| 99 | existence of O - S at topological distance 10 |
| 100 | existence of S - S at topological distance 10 |
