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  • 16. GETAWAY descriptors

    • Definition

      • Geometry, Topology, and Atom-Weights Assembly (GETAWAY) descriptors
      GETAWAY descriptors calculated from the leverage matrix obtained by the centered atomic coordinates (molecular influence matrix, MIM).

    • Relevant descriptors

      • No. Descriptor
      1 GETAWAY total information content
      2 GETAWAY standardized information content
      3 GETAWAY mean information content
      4 GETAWAY geometric mean
      5 GETAWAY H k0 (unweighted)
      6 GETAWAY H k1 (unweighted)
      7 GETAWAY H k2 (unweighted)
      8 GETAWAY H k3 (unweighted)
      9 GETAWAY H k4 (unweighted)
      10 GETAWAY H k5 (unweighted)
      11 GETAWAY H k6 (unweighted)
      12 GETAWAY H k7 (unweighted)
      13 GETAWAY H k8 (unweighted)
      14 GETAWAY H total (unweighted)
      15 GETAWAY HATS k0 (unweighted)
      16 GETAWAY HATS k1 (unweighted)
      17 GETAWAY HATS k2 (unweighted)
      18 GETAWAY HATS k3 (unweighted)
      19 GETAWAY HATS k4 (unweighted)
      20 GETAWAY HATS k5 (unweighted)
      21 GETAWAY HATS k6 (unweighted)
      22 GETAWAY HATS k7 (unweighted)
      23 GETAWAY HATS k8 (unweighted)
      24 GETAWAY HATS total (unweighted)
      25 GETAWAY H k0 (atomic masses)
      26 GETAWAY H k1 (atomic masses)
      27 GETAWAY H k2 (atomic masses)
      28 GETAWAY H k3 (atomic masses)
      29 GETAWAY H k4 (atomic masses)
      30 GETAWAY H k5 (atomic masses)
      31 GETAWAY H k6 (atomic masses)
      32 GETAWAY H k7 (atomic masses)
      33 GETAWAY H k8 (atomic masses)
      34 GETAWAY H total (atomic masses)
      35 GETAWAY HATS k0 (atomic masses)
      36 GETAWAY HATS k1 (atomic masses)
      37 GETAWAY HATS k2 (atomic masses)
      38 GETAWAY HATS k3 (atomic masses)
      39 GETAWAY HATS k4 (atomic masses)
      40 GETAWAY HATS k5 (atomic masses)
      41 GETAWAY HATS k6 (atomic masses)
      42 GETAWAY HATS k7 (atomic masses)
      43 GETAWAY HATS k8 (atomic masses)
      44 GETAWAY HATS total (atomic masses)
      45 GETAWAY H k0 (atomic van der Waals volumes)
      46 GETAWAY H k1 (atomic van der Waals volumes)
      47 GETAWAY H k2 (atomic van der Waals volumes)
      48 GETAWAY H k3 (atomic van der Waals volumes)
      49 GETAWAY H k4 (atomic van der Waals volumes)
      50 GETAWAY H k5 (atomic van der Waals volumes)
      51 GETAWAY H k6 (atomic van der Waals volumes)
      52 GETAWAY H k7 (atomic van der Waals volumes)
      53 GETAWAY H k8 (atomic van der Waals volumes)
      54 GETAWAY H total (atomic van der Waals volumes)
      55 GETAWAY HATS k0 (atomic van der Waals volumes)
      56 GETAWAY HATS k1 (atomic van der Waals volumes)
      57 GETAWAY HATS k2 (atomic van der Waals volumes)
      58 GETAWAY HATS k3 (atomic van der Waals volumes)
      59 GETAWAY HATS k4 (atomic van der Waals volumes)
      60 GETAWAY HATS k5 (atomic van der Waals volumes)
      61 GETAWAY HATS k6 (atomic van der Waals volumes)
      62 GETAWAY HATS k7 (atomic van der Waals volumes)
      63 GETAWAY HATS k8 (atomic van der Waals volumes)
      64 GETAWAY HATS total (atomic van der Waals volumes)
      65 GETAWAY H k0 (atomic Sanderson electronegativities)
      66 GETAWAY H k1 (atomic Sanderson electronegativities)
      67 GETAWAY H k2 (atomic Sanderson electronegativities)
      68 GETAWAY H k3 (atomic Sanderson electronegativities)
      69 GETAWAY H k4 (atomic Sanderson electronegativities)
      70 GETAWAY H k5 (atomic Sanderson electronegativities)
      71 GETAWAY H k6 (atomic Sanderson electronegativities)
      72 GETAWAY H k7 (atomic Sanderson electronegativities)
      73 GETAWAY H k8 (atomic Sanderson electronegativities)
      74 GETAWAY H total (atomic Sanderson electronegativities)
      75 GETAWAY HATS k0 (atomic Sanderson electronegativities)
      76 GETAWAY HATS k1 (atomic Sanderson electronegativities)
      77 GETAWAY HATS k2 (atomic Sanderson electronegativities)
      78 GETAWAY HATS k3 (atomic Sanderson electronegativities)
      79 GETAWAY HATS k4 (atomic Sanderson electronegativities)
      80 GETAWAY HATS k5 (atomic Sanderson electronegativities)
      81 GETAWAY HATS k6 (atomic Sanderson electronegativities)
      82 GETAWAY HATS k7 (atomic Sanderson electronegativities)
      83 GETAWAY HATS k8 (atomic Sanderson electronegativities)
      84 GETAWAY HATS total (atomic Sanderson electronegativities)
      85 GETAWAY H k0 (atomic polarizabilities)
      86 GETAWAY H k1 (atomic polarizabilities)
      87 GETAWAY H k2 (atomic polarizabilities)
      88 GETAWAY H k3 (atomic polarizabilities)
      89 GETAWAY H k4 (atomic polarizabilities)
      90 GETAWAY H k5 (atomic polarizabilities)
      91 GETAWAY H k6 (atomic polarizabilities)
      92 GETAWAY H k7 (atomic polarizabilities)
      93 GETAWAY H k8 (atomic polarizabilities)
      94 GETAWAY H total (atomic polarizabilities)
      95 GETAWAY HATS k0 (atomic polarizabilities)
      96 GETAWAY HATS k1 (atomic polarizabilities)
      97 GETAWAY HATS k2 (atomic polarizabilities)
      98 GETAWAY HATS k3 (atomic polarizabilities)
      99 GETAWAY HATS k4 (atomic polarizabilities)
      100  GETAWAY HATS k5 (atomic polarizabilities)
      101  GETAWAY HATS k6 (atomic polarizabilities)
      102  GETAWAY HATS k7 (atomic polarizabilities)
      103  GETAWAY HATS k8 (atomic polarizabilities)
      104  GETAWAY HATS total (atomic polarizabilities)
      105  GETAWAY R matrix connectivity
      106  GETAWAY R matrix avg row sum
      107  GETAWAY R matrix 1st eigenvalue
      108  GETAWAY R k1 (unweighted)
      109  GETAWAY R k2 (unweighted)
      110  GETAWAY R k3 (unweighted)
      111  GETAWAY R k4 (unweighted)
      112  GETAWAY R k5 (unweighted)
      113  GETAWAY R k6 (unweighted)
      114  GETAWAY R k7 (unweighted)
      115  GETAWAY R k8 (unweighted)
      116  GETAWAY R total (unweighted)
      117  GETAWAY R max k1 (unweighted)
      118  GETAWAY R max k2 (unweighted)
      119  GETAWAY R max k3 (unweighted)
      120  GETAWAY R max k4 (unweighted)
      121  GETAWAY R max k5 (unweighted)
      122  GETAWAY R max k6 (unweighted)
      123  GETAWAY R max k7 (unweighted)
      124  GETAWAY R max k8 (unweighted)
      125  GETAWAY R max (unweighted)
      126  GETAWAY R k1 (atomic masses)
      127  GETAWAY R k2 (atomic masses)
      128  GETAWAY R k3 (atomic masses)
      129  GETAWAY R k4 (atomic masses)
      130  GETAWAY R k5 (atomic masses)
      131  GETAWAY R k6 (atomic masses)
      132  GETAWAY R k7 (atomic masses)
      133  GETAWAY R k8 (atomic masses)
      134  GETAWAY R total (atomic masses)
      135  GETAWAY R max k1 (atomic masses)
      136  GETAWAY R max k2 (atomic masses)
      137  GETAWAY R max k3 (atomic masses)
      138  GETAWAY R max k4 (atomic masses)
      139  GETAWAY R max k5 (atomic masses)
      140  GETAWAY R max k6 (atomic masses)
      141  GETAWAY R max k7 (atomic masses)
      142  GETAWAY R max k8 (atomic masses)
      143  GETAWAY R max (atomic masses)
      144  GETAWAY R k1 (atomic van der Waals volumes)
      145  GETAWAY R k2 (atomic van der Waals volumes)
      146  GETAWAY R k3 (atomic van der Waals volumes)
      147  GETAWAY R k4 (atomic van der Waals volumes)
      148  GETAWAY R k5 (atomic van der Waals volumes)
      149  GETAWAY R k6 (atomic van der Waals volumes)
      150  GETAWAY R k7 (atomic van der Waals volumes)
      151  GETAWAY R k8 (atomic van der Waals volumes)
      152  GETAWAY R total (atomic van der Waals volumes)
      153  GETAWAY R max k1 (atomic van der Waals volumes)
      154  GETAWAY R max k2 (atomic van der Waals volumes)
      155  GETAWAY R max k3 (atomic van der Waals volumes)
      156  GETAWAY R max k4 (atomic van der Waals volumes)
      157  GETAWAY R max k5 (atomic van der Waals volumes)
      158  GETAWAY R max k6 (atomic van der Waals volumes)
      159  GETAWAY R max k7 (atomic van der Waals volumes)
      160  GETAWAY R max k8 (atomic van der Waals volumes)
      161  GETAWAY R max (atomic van der Waals volumes)
      162  GETAWAY R k1 (atomic Sanderson electronegativities)
      163  GETAWAY R k2 (atomic Sanderson electronegativities)
      164  GETAWAY R k3 (atomic Sanderson electronegativities)
      165  GETAWAY R k4 (atomic Sanderson electronegativities)
      166  GETAWAY R k5 (atomic Sanderson electronegativities)
      167  GETAWAY R k6 (atomic Sanderson electronegativities)
      168  GETAWAY R k7 (atomic Sanderson electronegativities)
      169  GETAWAY R k8 (atomic Sanderson electronegativities)
      170  GETAWAY R total (atomic Sanderson electronegativities)
      171  GETAWAY R max k1 (atomic Sanderson electronegativities)
      172  GETAWAY R max k2 (atomic Sanderson electronegativities)
      173  GETAWAY R max k3 (atomic Sanderson electronegativities)
      174  GETAWAY R max k4 (atomic Sanderson electronegativities)
      175  GETAWAY R max k5 (atomic Sanderson electronegativities)
      176  GETAWAY R max k6 (atomic Sanderson electronegativities)
      177  GETAWAY R max k7 (atomic Sanderson electronegativities)
      178  GETAWAY R max k8 (atomic Sanderson electronegativities)
      179  GETAWAY R max (atomic Sanderson electronegativities)
      180  GETAWAY R k1 (atomic polarizabilities)
      181  GETAWAY R k2 (atomic polarizabilities)
      182  GETAWAY R k3 (atomic polarizabilities)
      183  GETAWAY R k4 (atomic polarizabilities)
      184  GETAWAY R k5 (atomic polarizabilities)
      185  GETAWAY R k6 (atomic polarizabilities)
      186  GETAWAY R k7 (atomic polarizabilities)
      187  GETAWAY R k8 (atomic polarizabilities)
      188  GETAWAY R total (atomic polarizabilities)
      189  GETAWAY R max k1 (atomic polarizabilities)
      190  GETAWAY R max k2 (atomic polarizabilities)
      191  GETAWAY R max k3 (atomic polarizabilities)
      192  GETAWAY R max k4 (atomic polarizabilities)
      193  GETAWAY R max k5 (atomic polarizabilities)
      194  GETAWAY R max k6 (atomic polarizabilities)
      195  GETAWAY R max k7 (atomic polarizabilities)
      196  GETAWAY R max k8 (atomic polarizabilities)
      197  GETAWAY R max (atomic polarizabilities)

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