6. List of 2D autocorrelation indices
Definition
Relevant Descriptors
Molecular descriptors calculated from molecular graph by summing the products of atom weights of the terminal atoms of all the paths of the considered path length (the lag). 2D autocorrelations by Moreau-Broto (ATS), Moran (MATS) and Geary (GATS) algorithms are calculated from lag 1 to lag 8 for 4 different weighting schemes.
| No | Descriptor |
| 1 | Broto-Moreau autocorrelation d1 (atomic masses) |
| 2 | Broto-Moreau autocorrelation d2 (atomic masses) |
| 3 | Broto-Moreau autocorrelation d3 (atomic masses) |
| 4 | Broto-Moreau autocorrelation d4 (atomic masses) |
| 5 | Broto-Moreau autocorrelation d5 (atomic masses) |
| 6 | Broto-Moreau autocorrelation d6 (atomic masses) |
| 7 | Broto-Moreau autocorrelation d7 (atomic masses) |
| 8 | Broto-Moreau autocorrelation d8 (atomic masses) |
| 9 | Broto-Moreau autocorrelation d1 (atomic van der Waals volumes) |
| 10 | Broto-Moreau autocorrelation d2 (atomic van der Waals volumes) |
| 11 | Broto-Moreau autocorrelation d3 (atomic van der Waals volumes) |
| 12 | Broto-Moreau autocorrelation d4 (atomic van der Waals volumes) |
| 13 | Broto-Moreau autocorrelation d5 (atomic van der Waals volumes) |
| 14 | Broto-Moreau autocorrelation d6 (atomic van der Waals volumes) |
| 15 | Broto-Moreau autocorrelation d7 (atomic van der Waals volumes) |
| 16 | Broto-Moreau autocorrelation d8 (atomic van der Waals volumes) |
| 17 | Broto-Moreau autocorrelation d1 (atomic Sanderson electronegativities) |
| 18 | Broto-Moreau autocorrelation d2 (atomic Sanderson electronegativities) |
| 19 | Broto-Moreau autocorrelation d3 (atomic Sanderson electronegativities) |
| 20 | Broto-Moreau autocorrelation d4 (atomic Sanderson electronegativities) |
| 21 | Broto-Moreau autocorrelation d5 (atomic Sanderson electronegativities) |
| 22 | Broto-Moreau autocorrelation d6 (atomic Sanderson electronegativities) |
| 23 | Broto-Moreau autocorrelation d7 (atomic Sanderson electronegativities) |
| 24 | Broto-Moreau autocorrelation d8 (atomic Sanderson electronegativities) |
| 25 | Broto-Moreau autocorrelation d1 (atomic polarizabilities) |
| 26 | Broto-Moreau autocorrelation d2 (atomic polarizabilities) |
| 27 | Broto-Moreau autocorrelation d3 (atomic polarizabilities) |
| 28 | Broto-Moreau autocorrelation d4 (atomic polarizabilities) |
| 29 | Broto-Moreau autocorrelation d5 (atomic polarizabilities) |
| 30 | Broto-Moreau autocorrelation d6 (atomic polarizabilities) |
| 31 | Broto-Moreau autocorrelation d7 (atomic polarizabilities) |
| 32 | Broto-Moreau autocorrelation d8 (atomic polarizabilities) |
| 33 | Moran autocorrelation d1 (atomic masses) |
| 34 | Moran autocorrelation d2 (atomic masses) |
| 35 | Moran autocorrelation d3 (atomic masses) |
| 36 | Moran autocorrelation d4 (atomic masses) |
| 37 | Moran autocorrelation d5 (atomic masses) |
| 38 | Moran autocorrelation d6 (atomic masses) |
| 39 | Moran autocorrelation d7 (atomic masses) |
| 40 | Moran autocorrelation d8 (atomic masses) |
| 41 | Moran autocorrelation d1 (atomic van der Waals volumes) |
| 42 | Moran autocorrelation d2 (atomic van der Waals volumes) |
| 43 | Moran autocorrelation d3 (atomic van der Waals volumes) |
| 44 | Moran autocorrelation d4 (atomic van der Waals volumes) |
| 45 | Moran autocorrelation d5 (atomic van der Waals volumes) |
| 46 | Moran autocorrelation d6 (atomic van der Waals volumes) |
| 47 | Moran autocorrelation d7 (atomic van der Waals volumes) |
| 48 | Moran autocorrelation d8 (atomic van der Waals volumes) |
| 49 | Moran autocorrelation d1 (atomic Sanderson electronegativities) |
| 50 | Moran autocorrelation d2 (atomic Sanderson electronegativities) |
| 51 | Moran autocorrelation d3 (atomic Sanderson electronegativities) |
| 52 | Moran autocorrelation d4 (atomic Sanderson electronegativities) |
| 53 | Moran autocorrelation d5 (atomic Sanderson electronegativities) |
| 54 | Moran autocorrelation d6 (atomic Sanderson electronegativities) |
| 55 | Moran autocorrelation d7 (atomic Sanderson electronegativities) |
| 56 | Moran autocorrelation d8 (atomic Sanderson electronegativities) |
| 57 | Moran autocorrelation d1 (atomic polarizabilities) |
| 58 | Moran autocorrelation d2 (atomic polarizabilities) |
| 59 | Moran autocorrelation d3 (atomic polarizabilities) |
| 60 | Moran autocorrelation d4 (atomic polarizabilities) |
| 61 | Moran autocorrelation d5 (atomic polarizabilities) |
| 62 | Moran autocorrelation d6 (atomic polarizabilities) |
| 63 | Moran autocorrelation d7 (atomic polarizabilities) |
| 64 | Moran autocorrelation d8 (atomic polarizabilities) |
| 65 | Geary autocorrelation d1 (atomic masses) |
| 66 | Geary autocorrelation d2 (atomic masses) |
| 67 | Geary autocorrelation d3 (atomic masses) |
| 68 | Geary autocorrelation d4 (atomic masses) |
| 69 | Geary autocorrelation d5 (atomic masses) |
| 70 | Geary autocorrelation d6 (atomic masses) |
| 71 | Geary autocorrelation d7 (atomic masses) |
| 72 | Geary autocorrelation d8 (atomic masses) |
| 73 | Geary autocorrelation d1 (atomic van der Waals volumes) |
| 74 | Geary autocorrelation d2 (atomic van der Waals volumes) |
| 75 | Geary autocorrelation d3 (atomic van der Waals volumes) |
| 76 | Geary autocorrelation d4 (atomic van der Waals volumes) |
| 77 | Geary autocorrelation d5 (atomic van der Waals volumes) |
| 78 | Geary autocorrelation d6 (atomic van der Waals volumes) |
| 79 | Geary autocorrelation d7 (atomic van der Waals volumes) |
| 80 | Geary autocorrelation d8 (atomic van der Waals volumes) |
| 81 | Geary autocorrelation d1 (atomic Sanderson electronegativities) |
| 82 | Geary autocorrelation d2 (atomic Sanderson electronegativities) |
| 83 | Geary autocorrelation d3 (atomic Sanderson electronegativities) |
| 84 | Geary autocorrelation d4 (atomic Sanderson electronegativities) |
| 85 | Geary autocorrelation d5 (atomic Sanderson electronegativities) |
| 86 | Geary autocorrelation d6 (atomic Sanderson electronegativities) |
| 87 | Geary autocorrelation d7 (atomic Sanderson electronegativities) |
| 88 | Geary autocorrelation d8 (atomic Sanderson electronegativities) |
| 89 | Geary autocorrelation d1 (atomic polarizabilities) |
| 90 | Geary autocorrelation d2 (atomic polarizabilities) |
| 91 | Geary autocorrelation d3 (atomic polarizabilities) |
| 92 | Geary autocorrelation d4 (atomic polarizabilities) |
| 93 | Geary autocorrelation d5 (atomic polarizabilities) |
| 94 | Geary autocorrelation d6 (atomic polarizabilities) |
| 95 | Geary autocorrelation d7 (atomic polarizabilities) |
| 96 | Geary autocorrelation d8 (atomic polarizabilities) |
