15. WHIM descriptors

• Definition

  Weighted Holistic Invariant Molecular descriptors
  WHIM descriptors are molecular descriptors based on statistical indices calculated on the projections of the atoms along principal axes. These descriptors are built in such a way as to capture relevant molecular 3D information regarding molecular size, shape, symmetry and atomic distribution with respect to invariant reference frames.

• Relevant descriptors

  No.	Descriptor
  1	1st comp. directional WHIM size (unweighted)
  2	2nd comp. directional WHIM size (unweighted)
  3	3rd comp. directional WHIM size (unweighted)
  4	1st comp. directional WHIM shape (unweighted)
  5	2nd comp. directional WHIM shape (unweighted)
  6	1st comp. directional WHIM symmetry (unweighted)
  7	2nd comp. directional WHIM symmetry (unweighted)
  8	3rd comp. directional WHIM symmetry (unweighted)
  9	1st comp. directional WHIM accessibility (unweighted)
  10	2nd comp. directional WHIM accessibility (unweighted)
  11	3rd comp. directional WHIM accessibility (unweighted)
  12	1st comp. directional WHIM size (atomic masses)
  13	2nd comp. directional WHIM size (atomic masses)
  14	3rd comp. directional WHIM size (atomic masses)
  15	1st comp. directional WHIM shape (atomic masses)
  16	2nd comp. directional WHIM shape (atomic masses)
  17	1st comp. directional WHIM symmetry (atomic masses)
  18	2nd comp. directional WHIM symmetry (atomic masses)
  19	3rd comp. directional WHIM symmetry (atomic masses)
  20	1st comp. directional WHIM accessibility (atomic masses)
  21	2nd comp. directional WHIM accessibility (atomic masses)
  22	3rd comp. directional WHIM accessibility (atomic masses)
  23	1st comp. directional WHIM size (atomic van der Waals volumes)
  24	2nd comp. directional WHIM size (atomic van der Waals volumes)
  25	3rd comp. directional WHIM size (atomic van der Waals volumes)
  26	1st comp. directional WHIM shape (atomic van der Waals volumes)
  27	2nd comp. directional WHIM shape (atomic van der Waals volumes)
  28	1st comp. directional WHIM symmetry (atomic van der Waals volumes)
  29	2nd comp. directional WHIM symmetry (atomic van der Waals volumes)
  30	3rd comp. directional WHIM symmetry (atomic van der Waals volumes)
  31	1st comp. directional WHIM accessibility (atomic van der Waals volumes)
  32	2nd comp. directional WHIM accessibility (atomic van der Waals volumes)
  33	3rd comp. directional WHIM accessibility (atomic van der Waals volumes)
  34	1st comp. directional WHIM size (atomic Sanderson electronegativities)
  35	2nd comp. directional WHIM size (atomic Sanderson electronegativities)
  36	3rd comp. directional WHIM size (atomic Sanderson electronegativities)
  37	1st comp. directional WHIM shape (atomic Sanderson electronegativities)
  38	2nd comp. directional WHIM shape (atomic Sanderson electronegativities)
  39	1st comp. directional WHIM symmetry (atomic Sanderson electronegativities)
  40	2nd comp. directional WHIM symmetry (atomic Sanderson electronegativities)
  41	3rd comp. directional WHIM symmetry (atomic Sanderson electronegativities)
  42	1st comp. directional WHIM accessibility (atomic Sanderson electronegativities)
  43	2nd comp. directional WHIM accessibility (atomic Sanderson electronegativities)
  44	3rd comp. directional WHIM accessibility (atomic Sanderson electronegativities)
  45	1st comp. directional WHIM size (atomic polarizabilities)
  46	2nd comp. directional WHIM size (atomic polarizabilities)
  47	3rd comp. directional WHIM size (atomic polarizabilities)
  48	1st comp. directional WHIM shape (atomic polarizabilities)
  49	2nd comp. directional WHIM shape (atomic polarizabilities)
  50	1st comp. directional WHIM symmetry (atomic polarizabilities)
  51	2nd comp. directional WHIM symmetry (atomic polarizabilities)
  52	3rd comp. directional WHIM symmetry (atomic polarizabilities)
  53	1st comp. directional WHIM accessibility (atomic polarizabilities)
  54	2nd comp. directional WHIM accessibility (atomic polarizabilities)
  55	3rd comp. directional WHIM accessibility (atomic polarizabilities)
  56	1st comp. directional WHIM size (atomic electro-topological states)
  57	2nd comp. directional WHIM size (atomic electro-topological states)
  58	3rd comp. directional WHIM size (atomic electro-topological states)
  59	1st comp. directional WHIM shape (atomic electro-topological states)
  60	2nd comp. directional WHIM shape (atomic electro-topological states)
  61	1st comp. directional WHIM symmetry (atomic electro-topological states)
  62	2nd comp. directional WHIM symmetry (atomic electro-topological states)
  63	3rd comp. directional WHIM symmetry (atomic electro-topological states)
  64	1st comp. directional WHIM accessibility (atomic electro-topological states)
  65	2nd comp. directional WHIM accessibility (atomic electro-topological states)
  66	3rd comp. directional WHIM accessibility (atomic electro-topological states)
  67	WHIM total size T (unweighted)
  68	WHIM total size T (atomic masses)
  69	WHIM total size T (atomic van der Waals volumes)
  70	WHIM total size T (atomic Sanderson electronegativities)
  71	WHIM total size T (atomic polarizabilities)
  72	WHIM total size T (atomic electro-topological states)
  73	WHIM total size A (unweighted)
  74	WHIM total size A (atomic masses)
  75	WHIM total size A (atomic van der Waals volumes)
  76	WHIM total size A (atomic Sanderson electronegativities)
  77	WHIM total size A (atomic polarizabilities)
  78	WHIM total size A (atomic electro-topological states)
  79	WHIM total symmetry (unweighted)
  80	WHIM total symmetry (atomic masses)
  81	WHIM total symmetry (atomic electro-topological states)
  82	WHIM global shape (unweighted)
  83	WHIM global shape (atomic masses)
  84	WHIM global shape (atomic van der Waals volumes)
  85	WHIM global shape (atomic Sanderson electronegativities)
  86	WHIM global shape (atomic polarizabilities)
  87	WHIM global shape (atomic electro-topological states)
  88	WHIM total accessibility (unweighted)
  89	WHIM total accessibility (atomic masses)
  90	WHIM total accessibility (atomic van der Waals volumes)
  91	WHIM total accessibility (atomic Sanderson electronegativities)
  92	WHIM total accessibility (atomic polarizabilities)
  93	WHIM total accessibility (atomic electro-topological states)
  94	WHIM total size V (unweighted)
  95	WHIM total size V (atomic masses)
  96	WHIM total size V (atomic van der Waals volumes)
  97	WHIM total size V (atomic Sanderson electronegativities)
  98	WHIM total size V (atomic polarizabilities)
  99	WHIM total size V (atomic electro-topological states)