Update README.md

README.md

@@ -10,10 +10,10 @@ This repo contains the code and datasets for the publication
 # Data and results
 
 ## Directories:
-- datasets: contains the assay datasets exported from ChEMBL30 as well as the results of running SIMPD on the assay datasets. There's also a data catalog description for the intake package in here
+- datasets: contains the Ki datasets exported from ChEMBL32 as well as the results of running SIMPD on the assay datasets. There's also a data catalog description for the intake package in here
 
 # Jupyter Notebooks
-- 01_Get_ChEMBL30_Bioactivity_Data_assays.ipynb : export the raw ChEMBL assay datasets from ChEMBL
+- 01_Get_ChEMBL32_Bioactivity_Data_assays.ipynb : export the raw ChEMBL Ki datasets from ChEMBL
 - 02_ChEMBL_ML_experiments.ipynb : analysis of the results of the ML experiments on the ChEMBL Datasets
 
 # Python files
@@ -24,7 +24,7 @@ This repo contains the code and datasets for the publication
 - run_chemblassay_ml_nogap.py : script to run the ML experiments on the base assay data
 - run_chemblassay_ga_nogap.py : script to run SIMPD on the base assay data
 - run_chemblassay_ml_moo_nogap.py : script to run the ML experiments on the SIMPD results
-- create_simpd_output_chemblassay.py : script to create CSV files with the final SIMPD datasets. This is what ends up in the datasets/chembl_SIMPD directory
+- create_simpd_output_chemblKi.py : script to create CSV files with the final SIMPD datasets. This is what ends up in the datasets/chembl_SIMPD directory