- Integrated various tools:
- Database creation tool (wrappers for Open Babel, PaDEL-Descriptor)
- Using project tool (supply text w/ molecules, ECNet .prj file)
- Get SMILES from molecule name (PubChemPy)
- Convert SMILES to MDL/SDF
- Convert MDL/SDF to QSPR descriptors
- Added unit tests for database creation tool, using project tool
- Removed command line tools (integrated, above)
- Added various databases:
- Cloud point
- Pour point
- Yield sooting index