sabatier-catalyst-detection

Please cite the following work when using this code and data:

@article{ifandi2022,
  author={Elena Ifandi and Daphne Teck Ching Lai and Stavros Kalaitzidis and Muhammad Saifullah Abu Bakar and Tassos Grammatikopoulos and Chun-Kit Lai and Basilios Tsikouras},
  title={Noble metal catalyst detection in rocks using machine-learning: The future to low-cost, green energy materials?},
  journal={Under review},
  year ={2022}
}

Instructions to use code

Step 1: Run RF_methane(30runs).R with methanenew.csv to get the Top20 features. Extract Top20 features and save as Top20.csv

Step 2: For t-SNE visualisation, run tsne_noClusters.R on Top20.csv For mBIC clustering with t-SNE visualisation, run mbic+tsne.R on Top20.csv