IM-CCS with WEASEL

Efficiency, robustness, adaptability. Three aspects that characterize our #WEASEL workflows!

One of WEASELs workflows is IM-CCS prediction which reliably predicts #IMCCS with a MARD of 1.7% (2.9 Å) for a set of 48 molecules.

Check out WEASEL at www.faccts.de/weasel.

#FACCTs #ChemSky #CompChem