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

	Name	Last modified	Size	Description

	2022-01/	2023-09-29 14:47	-
	2023-10/	2023-10-23 13:54	-
	bin/	2022-04-18 10:27	-