Spinfiex is advanced chemical similarity software developed using a graph-based Maximum Overlapping Set (MOS) approach.
The superior automated clustering method detects similarities between structures that have a similar spatial arrangement of like functional groups or fragments without necessarily sharing a common substructure. Our MOS method of grouping structures is ideally suited to your medicinal chemistry programs and has been optimised to meet the needs of HTS data analysis, lead discovery and lead optimisation.
Rigourous testing has reinforced the superiority of our MOS-based compound clustering approach over the maximum common substructure (MCS) approach of many of our competitors.
To find out more about Spinifex, including its key features, please see our slides and publications below.
Contact us now to arrange your ‘obligation free’ Spinifex demonstration via webex or site visit and see the DesertSci difference for yourself.
Spinifex Slides (457 KB)