This is my attempt at replicating a QSOR (Quantitative Structure-Odor Relationships) model from a research paper using a GCN (Graph Convolution Network). A link to the paper can be found below in the archive.
This model uses 3 datasets at the moment - leffingwells, dravnieks, and goodscents. They were all sourced from the pyrfume archive on github, while some data processing methods were adapted from the openpom model from ARY2260 on github. Both resources are linked below in the acknowledgements.
- This paper is the basis for the model
- All datasets are from the Pyrfume archive
- Data processing for goodscents and leffingwells adpated from openpom