|
ADAPT
No. of descriptors: over 260
Type of descriptors: topological, geometrical, electronic, physicochemical.
O.S.: Unix/Linux
Released by: Jurs Research Group
software home page |
descriptor list
|
|
| |
|
ADMET Predictor
No. of descriptors: 297 (266 2D and 31 3D)
Type of descriptors: constitutional, functional group counts, topological, E-state, Moriguchi descriptors, Meylan flags, molecular patterns, electronic properties, 3D descriptors, hydrogen bonding, acid-base ionization, empirical estimates of quantum descriptors .
O.S.: Windows
Released by: Simulations Plus
software home page | descriptor list |
|
| |
|
ADRIANA.Code
No. of descriptors: 1244 (with default settings)
Type of descriptors: global physicochemical descriptors, atom property-weighted 2D- and 3D-autocorrelations and RDF, surface property-weighted autocorrelations.
O.S.: Linux/Windows
Released by: Molecular Networks
software home page | descriptor list
|
|
| |
|
ALMOND
No. of descriptors: -
Type of descriptors: GRIND
O.S.: Unix/Linux/SGI/Windows
Released by: Molecular Discovery
software home page
|
|
| |
|
CODESSA
No. of descriptors: about 1500
Type of descriptors: constitutional, topological, geometrical, charge-related, semi-empirical, thermodynamical
O.S.: Windows
Released by: Codessa Pro
software home page |
descriptor list
|
|
| |
|
DRAGON
No. of descriptors: 3224
Type of descriptors: constitutional, topological, 2D-autocorrelations, geometrical, WHIM, GETAWAY, RDF, functional groups, properties, 2D binary and 2D frequency fingerprints, etc.
O.S.: Windows/Unix/Linux
Released by: TALETE
software home page |
descriptor list
|
|
| |
|
GRID
No. of descriptors: -
Type of descriptors: molecular interaction fields
O.S.: Unix/Windows
Released by: Molecular Discovery
software home page
|
|
| |
|
JOELib
No. of descriptors: over 40
Type of descriptors: counting, topological, geometrical, properties, etc.
O.S.: Windows/Unix/Linux
Released by: University of Tübingen
software home page |
descriptor list
|
|
| |
|
MOE
No. of descriptors: over 300
Type of descriptors: topological, physical properties, structural keys, etc.
O.S.: Windows/Linux/SGI/MAC/Sun
Released by: Chemical Computing Group
software home page |
descriptor list
|
|
| |
|
MOLCONN-Z
|
| |
|
MOLGEN-QSPR
No. of descriptors: 707
Type of descriptors: constitutional, topological, geometrical, etc.
O.S.: Unix/Linux/Sun
Released by: University of Bayreuth
software home page |
descriptor list
|
|
| |
|
PowerMV
No. of descriptors: over 1000
Type of descriptors: constitutional, atom pairs, fingerprints, BCUT, etc.
O.S.: Windows
Released by: National Institute of Statistical Sciences
software home page
|
|
| |
|
PreADMET
No. of descriptors: 955
Type of descriptors: constitutional, topological, geometrical, physicochemical, etc.
O.S.: Windows
Released by: PreADMET
software home page |
|
| |
|
Sarchitect
No. of descriptors: 1084
Type of descriptors: constitutional, 2D and 3D descriptors
O.S.: Windows or Linux
Released by: Strand Life Sciences
software home page |
descriptor list
|
|
| |
| |
