Aquatic toxicity
Evaluate aquatic toxicity with StarDrop Aquatic Toxicity model.
Flavour and fragrance models: Leffingwell odour threshold
To be smelt a compound has to have a low enough vapour pressure to be in the gaseous state and…
Flavour and fragrance models: skin absorption modelling
Fragrance materials are widely used in cosmetics and other consumer products. The safety assessment of these ingredients includes skin absorption…
Flavour and fragrance models: Kovats indices
Odour type is an important property for the flavour industry. It has been observed that compounds with a similar volatility…
PAINS Model
Baell and Holloway published a set of substructure filters for removal of what they termed “Pan Assay Interference Compounds (PAINS)” from…
Human volume of distribution models
The volume of distribution (VDss) is an in vivo pharmacokinetic parameter representing the hypothetical volume into which the dose of drug would…
Shen HIA models
Access Shen HIA Models for robust predictions of human intestinal absorption. Improve drug development. Download now for enhanced bioavailability insights.
Shen BBB models
Blood-brain barrier (BBB) penetration is a measure of the ratio between the compound concentration in brain and blood. Good BBB…
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)
P-gp Transporter models
P-glycoprotein (P-gp) is an ATP driven efflux pump encoded by the MDR1 gene, capable of transporting a wide spectrum of…
Caco-2 Model
Accelerate drug development with Caco-2 Model. Predict intestinal permeability for better absorption. Download now for improved pharmacokinetic predictions.
Number of aromatic rings
Improve compound characterisation with StarDrop’s Number of Aromatic Rings tool. Download now for precise ring counting and structural analysis
Number of carbons
These two models calculates the number of sp3 carbons and the total number of carbons compound. These are available to…
Heavy atom count
Determine heavy atom count effortlessly with StarDrop Heavy Atom Count tool. Download now for precise molecular analysis and property estimation.
Exact mass calculator
This model calculates the “exact mass” of a molecule based upon the masses of the most abundant isotopes of its…
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…
HTS promiscuity alerts model
Screen for HTS promiscuity with StarDrop HTS Promiscuity Alerts.
Python custom model code for StarDrop
This example code shows how to write a custom model using Python. This example can be used to make in-house…