Shen BBB models
Blood-brain barrier (BBB) penetration is a measure of the ratio between the compound concentration in brain and blood. Good BBB…
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
Models for success: improving drug metabolism prediction
Out now in Drug Target Review, Optibrium’s Director of Computational Chemistry, Dr Peter Hunt discusses why early in silico metabolism prediction is crucial…
Introduction to the Metabolism module
The Metabolism module enables you to accurately predict the major metabolic routes, sites, products and lability of Phase I and…
Optibrium launches a metabolism prediction software platform tailored to DMPK scientists
Semeta™ offers high sensitivity and superior precision for the prediction of Phase I and II metabolic routes, sites, products and liabilities in early drug discovery
Quantitative estimate of Drug-likeness in StarDrop
In the article, Bickerton et al. (2012) “The Chemical Beauty of Drugs” Nature Chemistry 4, 90–98, the authors proposed a measure of ‘drug-likeness’, the Quantitative…
Shen HIA models
Access Shen HIA Models for robust predictions of human intestinal absorption. Improve drug development. Download now for enhanced bioavailability insights.
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)
Cerella case studies ebook
In this ebook we demonstrate our deployable AI discovery platform, Cerella™. Browse real-world stories of success from our collaborations with AstraZeneca, Genetech, Takeda Pharmaceuticals, Constellation Pharmaceuticals and many more.
