HLM stability models
StarDrop™ HLM Stability Models are courtesy of Alexey Zakharov of the National Cancer Institute, National Institutes of Health, who has developed models of stability in Human liver Microsomes (HLM)
To calculate descriptors on the current data set, click the Calculate descriptors on the current dataset button within the Auto-Modeller area.
You can also choose to import your own descriptors as a file of SMARTS patterns.
More models resources
HTS promiscuity alerts model
Screen for HTS promiscuity with StarDrop HTS Promiscuity Alerts.
PAINS Model
Baell and Holloway published a set of substructure filters for removal of what they termed “Pan Assay Interference Compounds (PAINS)” from…