Molecular Property Diagnostic Suite
GPTKB entity
Statements (13)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:software
|
| gptkbp:abbreviation |
gptkb:MPDS
|
| gptkbp:developer |
OpenEye Scientific Software
|
| gptkbp:domain |
computational chemistry
drug discovery |
| gptkbp:feature |
property prediction
structure-activity relationship analysis calculation of molecular descriptors |
| https://www.w3.org/2000/01/rdf-schema#label |
Molecular Property Diagnostic Suite
|
| gptkbp:purpose |
molecular property analysis
|
| gptkbp:website |
https://www.eyesopen.com/mpds
|
| gptkbp:bfsParent |
gptkb:MPDS
|
| gptkbp:bfsLayer |
8
|