Descriptor

Click Descriptor tab from Property View. Then the following screen will be displayed.

• Descriptor List

This tab provides 2004 descriptor values for a selected molecule. This descriptor is divided into 24 Fields based on its characteristics.
The following is the descriptor field list that MolInstincts provides. Select a descriptor field on the left window. Then a descriptor that belongs to each Field will be displayed on the right window. This right window will show the descriptor and a value of selected molecule.

	Descriptor Field Name	descriptor count
1	constitutional descriptors	58
2	topological descriptors	114
3	walk and path counts	47
4	connectivity indices	33
5	information indices	47
6	2D autocorrelations	96
7	edge adjacency indices	107
8	Burden eigenvalues descriptors	64
9	topological charge indices	21
10	eigenvalue-based indices	44
11	Randic molecular profiles	41
12	geometrical descriptors	56
13	RDF descriptors	150
14	3D-MoRSE descriptors	160
15	WHIM descriptors	99
16	GETAWAY descriptors	197
17	functional group counts	130
18	atom-centred fragments	80
19	charge descriptors	14
20	molecular properties	26
21	2D binary fingerprints	100
22	2D frequency fingerprints	100
23	Quantum-chemical descriptors	155
24	Electrostatic descriptors	65
Total		2004