Below are descriptor calculators available for download. They were mostly written by dr Steven Enoch while he worked at Cyprotex. It is thanks to Prof. David E Leahy now available to the community as opensource. We have taken the responsibility of maintaining the code.
- E-states and HE-states (Download)
- Based on work by Kier and Hall.
Dependencies: OpenBabel
- LSER (Download)
- Linear Solvation Energy Relationship descriptors are based on work by Abraham.
Dependencies: OpenBabel
- hQSAR (Download)
- hQSAR descriptors
Dependencies: OpenBabel, PerlMol
Below are wrappers for MOPAC and RECON executables. The executables are not included. Please contact the authors for licences and executables.