Web Service - MOSES.Descriptors Community Edition

If you would like to use our MOSES.Descriptors Community Edition web service please use the following form for data submission.

Please select input structure file and options:

 Use 3D structures provided in input file

Note. Only SDF and SMILES formatted files are supported and the file size limit is 1 MB.

Please press the Submit button to upload the file and for calculating descriptors.

 

Remarks:

  • The MOSES.Descriptors Community Edition web service calculates a set of molecular descriptors (in total 211) by processing a file of chemical structures in SDF or SMILES format (file size limit is 1 MB).
  • The service returns the descriptors in csv (comma separated value) file format, whereas the first line is a header line listing the contents of each column (record number, calculated descriptors, error and warning messages).
  • By default, the service internally generates 3D strucures by an integrated library of CORINA in order to calculate descriptors that require a 3D structure (such as dipole moment). However, the service can also use 3D structures that are provided in the input file (see check box "Use 3D structures provided in input file").
  • For further information about the available descriptors and the methods and algorithms implemented in MOSES.Descriptors Community Edition please refer to the document MOSES.Descriptors Community Edition - Brief Description.