| Source |
Dimension |
Descriptors |
Description |
| Chemopy |
1 |
- Constitutional descriptors (30)
|
Details>> |
| 2 |
- Connectivity descriptors (44)
- Basak descriptors (21)
- Topology descriptors (35)
- Kappa descriptors (7)
- Burden descriptors (64)
- E-state descriptors (245)
- Moran autocorrelation descriptors (32)
- Geary autocorrelation descriptors (32)
- Molecular property descriptors (6)
- Moreau-Broto autocorrelation descriptors (32)
- Charge descriptors (25)
- MOE-type descriptors (60)
|
| 3 |
- Geometric descriptors (12)
- CPSA descriptors (30)
- WHIM descriptors (70)
- RDF descriptors (180)
- MoRSE descriptors (210)
|
| BlueDesc |
1 |
- Constitutional descriptors (33)
|
Details>> |
| 2 |
- Autocorrelation descriptors (10)
- Connectivity descriptors (42)
- Molecular property descriptors (9)
- Topological descriptors (24)
|
| 3 |
- Geometrical descriptors (11)
- CPSA descriptors (28)
- WHIM descriptors (17)
|
| RDKit |
1 |
- Constitutional descriptors (106)
|
Details>> |
| 2 |
- Connectivity descriptors (12)
- MOE-type descriptors (58)
- Molecular property descriptors (5)
- Topological descriptors (15)
|
| CDK |
1 |
- Constitutional descriptors (10)
|
Details>> |
| 2 |
- Autocorrelation descriptors (15)
- Connectivity descriptors (40)
- BCUT descriptors (6)
- Kappa descriptors (82)
- Molecular property descriptors (12)
- Topological descriptors (45)
|
| 3 |
- WHIM descriptors (17)
- CPSA descriptors (29)
- Geometrical descriptors (18)
- Quantum chemical descriptors (1)
|
| Pybel |
1 |
- Constitutional descriptors (10)
- Molecular formats descriptors (6)
|
Details>> |
| 2 |
- Molecular property descriptors (8)
|
| PaDEL |
1 |
- Constitutional descriptors (120)
|
Details>> |
| 2 |
- Autocorrelation descriptors (346)
- Basak descriptors (42)
- BCUT descriptors (6)
- Burden descriptors (96)
- Connectivity descriptors (56)
- E-state descriptors (489)
- Kappa descriptors (3)
- Molecular property descriptors (15)
- Quantum chemical descriptors (6)
- Topological descriptors (265)
|
| 3 |
- CPSA descriptors (29)
- RDF descriptors (210)
- Geometrical descriptors (21)
- WHIM descriptors (91)
- 3D Autocorrelation descriptors (80)
|
E-mail: jiedong@csu.edu.cn
