ChemDes

An integrated web-based platform for molecular descriptor and fingerprint computation

WHIM descriptors (70)

1 L1u 1st component size directional WHIM index / unweighted
2 L2u 2nd component size directional WHIM index / unweighted
3 L3u 3rd component size directional WHIM index / unweighted
4 P1u 1st component shape directional WHIM index / unweighted
5 P2u 2nd component shape directional WHIM index / unweighted
6 G1u 1st component symmetry directional WHIM index / unweighted
7 G2u 2nd component symmetry directional WHIM index / unweighted
8 G3u 3rd component symmetry directional WHIM index / unweighted
9 E1u 1st component accessibility directional WHIM index / unweighted
10 E2u 2nd component accessibility directional WHIM index / unweighted
11 E3u 3rd component accessibility directional WHIM index / unweighted
12 Tu T total size index / unweighted
13 Au A total size index / unweighted
14 Gu G total symmetry index / unweighted
15 L1m 1st component size directional WHIM index / weighted by atomic masses
16 L2m 2nd component size directional WHIM index / weighted by atomic masses
17 L3m 3rd component size directional WHIM index / weighted by atomic masses
18 P1m component shape directional WHIM index / weighted by atomic masses
19 P2m component shape directional WHIM index / weighted by atomic masses
20 G1m 1st component symmetry directional WHIM index / weighted by atomic masses
21 G2m 2nd component symmetry directional WHIM index / weighted by atomic masses
22 G3m 3rd component symmetry directional WHIM index / weighted by atomic masses
23 E1m 1st component accessibility directional WHIM index / weighted by atomic masses
24 E2m 2nd component accessibility directional WHIM index / weighted by atomic masses
25 E3m 3rd component accessibility directional WHIM index / weighted by atomic masses
26 Tm T total size index / weighted by atomic masses
27 Am A total size index / weighted by atomic masses
28 Gm G total symmetry index / weighted by atomic masses
29 L1v 1st component size directional WHIM index / weighted by atomic van der Waals volumes
30 L2v 2nd component size directional WHIM index / weighted by atomic van der Waals volumes
31 L3v 3rd component size directional WHIM index / weighted by atomic van der Waals volumes
32 P1v 1st component shape directional WHIM index / weighted by atomic van der Waals volumes
33 P2v 2nd component shape directional WHIM index / weighted by atomic van der Waals volumes
34 G1v 1st component symmetry directional WHIM index / weighted by atomic van der Waals volumes
35 G2v 2nd component symmetry directional WHIM index / weighted by atomic van der Waals volumes
36 G3v 3rd component symmetry directional WHIM index / weighted by atomic van der Waals volumes
37 E1v 1st component accessibility directional WHIM index / weighted by atomic van der Waals volumes
38 E2v 2nd component accessibility directional WHIM index / weighted by atomic van der Waals volumes
39 E3v 3rd component accessibility directional WHIM index / weighted by atomic van der Waals volumes
40 Tv T total size index / weighted by atomic van der Waals volumes
41 Av A total size index / weighted by atomic van der Waals volumes
42 Gv G total symmetry index / weighted by atomic van der Waals volumes
43 L1p 1st component size directional WHIM index / weighted by atomic polarizabilities
44 L2p 2nd component size directional WHIM index / weighted by atomic polarizabilities
45 L3p 3rd component size directional WHIM index / weighted by atomic polarizabilities
46 P1p 1st component shape directional WHIM index / weighted by atomic polarizabilities
47 P2p 2nd component shape directional WHIM index / weighted by atomic polarizabilities
48 G1p 1st component symmetry directional WHIM index / weighted by atomic polarizabilities
49 G2p 2nd component symmetry directional WHIM index / weighted by atomic polarizabilities
50 G3p 3rd component symmetry directional WHIM index / weighted by atomic polarizabilities
51 E1p 1st component accessibility directional WHIM index / weighted by atomic polarizabilities
52 E2p 2nd component accessibility directional WHIM index / weighted by atomic polarizabilities
53 E3p 3rd component accessibility directional WHIM index / weighted by atomic polarizabilities
54 Tp T total size index / weighted by atomic polarizabilities
55 Ap A total size index / weighted by atomic polarizabilities
56 Gp G total symmetry index / weighted by atomic polarizabilities
57 L1e 1st component size directional WHIM index / weighted by atomic electrotopological states
58 L2e 2nd component size directional WHIM index / weighted by atomic electrotopological states
59 L3e 3rd component size directional WHIM index / weighted by atomic electrotopological states
60 P1e 1st component shape directional WHIM index / weighted by atomic electrotopological states
61 P2e 2nd component shape directional WHIM index / weighted by atomic electrotopological states
62 G1e 1st component symmetry directional WHIM index / weighted by atomic electrotopological states
63 G2e 2nd component symmetry directional WHIM index / weighted by atomic electrotopological states
64 G3e 3rd component symmetry directional WHIM index / weighted by atomic electrotopological states
65 E1e 1st component accessibility directional WHIM index / weighted by atomic electrotopological states
66 E2e 2nd component accessibility directional WHIM index / weighted by atomic electrotopological states
67 E3e 3rd component accessibility directional WHIM index / weighted by atomic electrotopological states
68 Te T total size index / weighted by atomic electrotopological states
69 Ae A total size index / weighted by atomic electrotopological states
70 Ge G total symmetry index / weighted by atomic electrotopological states


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