Data & Codes

Codes (Code used during analysis — available publicly on GitHub)

1. DrLungker: https://github.com/ShabanAhmad/DrLungker 

2. DeepEntXAI: https://github.com/ShabanAhmad/DeepEntXAI 

3. LungXAI: https://github.com/SyeddNaseer/LUNGXAI 

4. Colourful RMSD-RMSF and MMGBSA Plots: https://github.com/ShabanAhmad/RMSD-RMSF-Plots

5. ChEMBL Lung Cancer BioAssays: https://github.com/ShabanAhmad/ChEMBL_LungCancer-BioAssays

6. PubChem_LungCancer-BioAssay: https://github.com/ShabanAhmad/PubChem_LungCancer-BioAssay 

Scientific Data (Generated during the analysis, published as supplementary materials)

1. Article Link: http://dx.doi.org/10.1016/j.ijbiomac.2025.146175 

Data Link: http://dx.doi.org/10.13140/RG.2.2.36122.71365 

2. Article Link: https://doi.org/10.3389/fchem.2025.1611972 

Data Link: https://www.frontiersin.org/api/v4/articles/1611972/file/Table_1.xlsx/1611972_table_1/1 

3. Article Link: http://dx.doi.org/10.1016/j.compbiomed.2025.110163 

Data Link: http://dx.doi.org/10.13140/RG.2.2.17248.34566 

4. Article Link: http://dx.doi.org/10.1016/j.ijbiomac.2025.142343 

Data Link: http://dx.doi.org/10.13140/RG.2.2.30670.11846, http://dx.doi.org/10.13140/RG.2.2.13892.90248 

5. Article Link: http://dx.doi.org/10.1016/j.ijbiomac.2025.141703 

Data Links: http://dx.doi.org/10.13140/RG.2.2.20603.78884, http://dx.doi.org/10.13140/RG.2.2.27314.67529 

6. Article Link: http://dx.doi.org/10.3390/ijms26031060 

Data Link: https://www.mdpi.com/article/10.3390/ijms26031060/s1 

7. Article Link: http://dx.doi.org/10.1016/j.ijbiomac.2024.132332 

Data Links: http://dx.doi.org/10.13140/RG.2.2.34025.56164, http://dx.doi.org/10.13140/RG.2.2.25636.95361 

8. Article Link: http://dx.doi.org/10.1080/07391102.2023.2209673 

Data Link: http://dx.doi.org/10.13140/RG.2.2.28992.39680 

9. Article Link: http://dx.doi.org/10.1007/s10753-022-01734-w 

Data Links: Data File 1, Data File 2, Data File 3, Supplementary Docx 1, Supplementary Docx 2, 

10. Article Link: http://dx.doi.org/10.1007/s10722-022-01471-x 

Data Link: Data File, Supplementary manuscript

11. Article Link: http://dx.doi.org/10.1080/07391102.2021.2021993 

Data Link: http://dx.doi.org/10.13140/RG.2.2.18926.06725