PAINS Model
Baell and Holloway published a set of substructure filters for removal of what they termed “Pan Assay Interference Compounds (PAINS)” from…
HTS promiscuity alerts model
Screen for HTS promiscuity with StarDrop HTS Promiscuity Alerts.
Heavy atom count
Determine heavy atom count effortlessly with StarDrop Heavy Atom Count tool. Download now for precise molecular analysis and property estimation.
Topological Polar Surface Area – Including S and P
In J. Med. Chem., 2000, 43 (20), pp 3714–3717, Ertl et al. propose the calculation of two polar surface area values, the first reports the PSA…
Exact mass calculator
This model calculates the “exact mass” of a molecule based upon the masses of the most abundant isotopes of its…
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)
Fraction unbound calculation script for StarDrop
This StarDrop script estimates free fraction (fᵤ) in microsomes, hepatocytes, and plasma even when some assays are missing, converting “%…
