Molecular descriptors are numerical features of chemical compounds.
OCHEM supports the calculation of many different descriptor packages:
- Adriana.CODE
 - alvaDesc
 - ALogPS
 - CDK
 - Chemaxon descriptors
 - Chemaxon scaffolds
 - Custom descriptors from a file
 - Dragon
 - ECFP fingerprints
 - ESTATE
 - Experimental values of other properties
 - Functional groups
 - GSFrag
 - Inductive Descriptors
 - ISIDA Fragments
 - MERA descriptors
 - MERSY descriptors
 - MolPrint
 - MOPAC-derived descriptors
 - OEState
 - QNPR
 - Silicos-It scaffolds
 - Spectrophores
 - ToxAlerts
 - MAP4
 - JPLOGP
 - RDKit descriptors
 - MOE
 - CDDD
 - PyDescriptor
 - CDK22
 - SIRMS
 - CDK2
 - RDKit additional descriptors
 - MORDRED
 - MOPAC2016-derived descriptors
 
You can select one or more descriptor packages to calculate for the same dataset. The calculation time for descriptors depends on many factors including the size of the dataset, the package selected, and the availability of computational resources.

                                        
                                 Page:                 Adriana.CODE
                         
                            
                                 Page:                 alvaDesc
                         
                            
                                 Page:                 ALogPS
                         
                            
                                 Page:                 CDK
                         
                            
                                 Page:                 Chemaxon descriptors
                         
                            
                                 Page:                 Chemaxon scaffolds
                         
                            
                                 Page:                 Custom descriptors from a file
                         
                            
                                 Page:                 Dragon
                         
                            
                                 Page:                 ECFP fingerprints
                         
                            
                                 Page:                 ESTATE
                         
                            
                                 Page:                 Experimental values of other properties
                         
                            
                                 Page:                 Functional groups
                         
                            
                                 Page:                 GSFrag
                         
                            
                                 Page:                 Inductive Descriptors
                         
                            
                                 Page:                 ISIDA Fragments
                         
                            
                                 Page:                 MERA descriptors
                         
                            
                                 Page:                 MERSY descriptors
                         
                            
                                 Page:                 MolPrint
                         
                            
                                 Page:                 MOPAC-derived descriptors
                         
                            
                                 Page:                 OEState
                         
                            
                                 Page:                 QNPR
                         
                            
                                 Page:                 Silicos-It scaffolds
                         
                            
                                 Page:                 Spectrophores
                         
                            
                                 Page:                 ToxAlerts
                         
                            
                                 Page:                 MAP4
                         
                            
                                 Page:                 JPLOGP
                         
                            
                                 Page:                 RDKit descriptors
                         
                            
                                 Page:                 MOE
                         
                            
                                 Page:                 CDDD
                         
                            
                                 Page:                 PyDescriptor
                         
                            
                                 Page:                 CDK22
                         
                            
                                 Page:                 SIRMS
                         
                            
                                 Page:                 CDK2
                         
                            
                                 Page:                 RDKit additional descriptors
                         
                            
                                 Page:                 MORDRED
                         
                            
                                 Page:                 MOPAC2016-derived descriptors