==2D MOLECULE STRUCTURE FILE FORMATS==

SDF
JSON
XML
ASNT
2DMOL (TXT)

==3D MOLECULE STRUCTURE FILE FORMATS==

3DMOL (TXT)

==PROTEIN STRUCTURE FILE FORMATS==

FASTA
PDB
PDB gz
PDBx/mmCIF
PDBx/mmCIF gz
PDBML/XML gz
Biological Assembly 1
Structure Factors (CIF)
Structure Factors (CIF - gz)

==WIKI PAGES==
https://en.wikipedia.org/wiki/List_of_protein-ligand_docking_software
https://en.wikipedia.org/wiki/Bioprospecting
https://en.wikipedia.org/wiki/Reverse_pharmacology
https://en.wikipedia.org/wiki/Docking_(molecular)
https://en.wikipedia.org/wiki/Pharmacognosy

==NOTES==
One disease sample to lots of proteins (One to many)
Toxtree
https://qsartoolbox.org/
-- other toxic hazard estimation softwares