Migration Guide

Upgrading to version 2.x

The RSC released an entirely new REST API in 2018, necessitating a number of changes to ChemSpiPy. Where possible, backwards compatibility has been maintained, but many methods are deprecated and some have been removed entirely.

ChemSpider Object

Compound Object

  • Non-standard InChI and InChIKey are no longer available. All are now ‘standard’. Deprecated properties:

  • Removed properties:

    • xlogp
    • alogp
    • mol_3d
    • mol_raw

Spectrum Object

  • Spectrum object has been removed entirely.

api Module

  • Removed DIMENSIONS mapping.
  • Replaced FIELDS mapping with a list of available properties fields.
  • Removed xml_to_dict function.