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silicos-it's Projects

filter-it icon filter-it

Filter-it is a program for filtering out molecules with unwanted properties.

pharao icon pharao

Pharmacophore alignment tools as published by J. Mol. Graphics (2008), 27, 161-169

qed icon qed

The QED (Quantitative Estimation of Drug-likeness) molecular descriptor to use in combination with RDKit

shape-it icon shape-it

Updated version of Silicos-it's shape-based alignment tool

som-it icon som-it

Som-it has been developed with the purpose to analyse R-generated SOM maps derived from extreme large datasets

spectrophore icon spectrophore

Spectrophore technology as published in J. Cheminformatics (2018) 10, 9

strip-it icon strip-it

Strip-it is a program that identifies and extracts predefined scaffolds from organic small molecules.

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