Softwares
ADAPT
No. of descriptors: over 260
Type of descriptors: topological, geometrical, electronic, physicochemical.
O.S.: Unix/Linux
Released by: Jurs Research Group

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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

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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

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ALMOND
No. of descriptors: -
Type of descriptors: GRIND
O.S.: Unix/Linux/SGI/Windows
Released by: Molecular Discovery

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CODESSA
No. of descriptors: about 1500
Type of descriptors: constitutional, topological, geometrical, charge-related, semi-empirical, thermodynamical
O.S.: Windows
Released by: Codessa Pro

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DRAGON
No. of descriptors: 5270
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.
An extension for KNIME is also available.
Distributed by: Kode srl

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GRID
No. of descriptors: -
Type of descriptors: molecular interaction fields
O.S.: Unix/Windows
Released by: Molecular Discovery

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ISIDA FRAGMENTOR
The ISIDA Fragmentor2011 calculates molecular fragment count descriptors from a Structure-Data File (SDF).
No. of descriptors: -
Type of descriptors: Substructural Molecular Fragments (SMF), Property-Labelled Fragments (IPLF).
O.S.: Linux/Windows/MAC
Released by: Laboratoire d’Infochimie, Institut de Chimie, Université de Strasbourg, France.

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JOELib
No. of descriptors: over 40
Type of descriptors: counting, topological, geometrical, properties, etc.
O.S.: Windows/Unix/Linux
Released by: University of Tübingen

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MARVIN Beans
Marvin is a collection of tools for drawing, displaying and characterizing chemical structures, queries, macromolecules and reactions. The Calculator Plugins, included in the Marvin Suite, are modules of ChemAxon’s Marvin and JChem cheminformatics platforms which calculate chemical properties descriptors from chemical structures. An extension for KNIME is also available.
No. of descriptors: over 499
Type of descriptors: physico-chemical, topological, geometrical, fingerprints, etc.
O.S.: Linux/Windows/MAC
Released by: ChemAxon

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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

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MOLCONN-Z
No. of descriptors: over 40
Type of descriptors: topological
O.S.: Windows/Unix/Linux/MAC
Released by: eduSoft

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MOLGEN-QSPR
No. of descriptors: 707
Type of descriptors: constitutional, topological, geometrical, etc.
O.S.: Unix/Linux/Sun
Released by: University of Bayreuth

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PaDEL-Descriptor
No. of descriptors: 863 descriptors (729 1D, 2D descriptors and 134 3D descriptors)
Type of descriptors: constitutional, WHIM, topological, fingerprints.
The descriptors and fingerprints are calculated using The Chemistry Development Kit with some additional descriptors and fingerprints.
O.S.: Java JRE
Released by: National University of Singapore

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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

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PreADMET
No. of descriptors: 955
Type of descriptors: constitutional, topological, geometrical, physicochemical, etc.
O.S.: Windows
Released by: PreADMET

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Sarchitect
No. of descriptors: 1084
Type of descriptors: constitutional, 2D and 3D descriptors
O.S.: Windows or Linux
Released by: Strand Life Sciences

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