In order to facilitate reproducible research of this work, this repository includes all R codes and associated input data that were used to construct the CSAR models, Figures and Tables.
Contents in this repository includes the following:
- Descriptors (the computed descriptors of compounds investigated in this study)
- Figure_X (X denote the Figure numbers; these folders contain all codes, associated data and OmniGraffle files that were used to produce the Figures)
- Supplementary_anti-sickling_agents.csv (the data set of anti-sickling agents used in this study; this CSV file includes the SMILES notation and their associated biological activity)
- Supplementary_Fig_1_to_6.pdf (Supplementary Figures 1 to 6)
- Table_2_CSAR_model (all R codes and fingerprint CSV files that were used to construct the CSAR models are provided within this folder)