ChemBridge make-on-demand compounds
Version 1.0 of April 2022
Contents
- tranches = individual slices of property space by heavy atom count and logP
- src = original source files
- sets = tranches grouped for easier download
- bin = program that does the tranching. Thus
Tranche naming convention
- H25P100 is read as "molecules with 25 non-H atoms, with LogP between 1.0 and 1.09999
- H17M100 is ready as "molecules with 17 non-H atoms with LogP between -1.00 and -1.999
- Thus M is minus and P is plus in logP.
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Files
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