The number of potential molecules in pharmaceutical
in-house databases has increased to such an extent,
that screening
every substance
has become ineffective.
MolScore products
preselect compounds which display the highest probability to become a successful drug.
See here for further details.
Prediction of ADMET-profiles
The proper estimation of ADMET (Adsorption, Distribution, Metabolism, Excretion, Toxicity) profiles of drug candidates is important for an optimised drug discovery process. The early prediction of these parameters saves money and reduces the time to market for new drugs.
PharmaInformatic has build up a comprehensive and highly annotated ADME/Tox database. Reliable tools to predict ADME/Tox-properties can be derived from this database in order to identify and prioritise promising drug candidates.
Prediction of
- Adsorption
- Oral bioavailability
- Solubility, log P, log D
- P-gp transport
Distribution
Metabolism
Excretion
- Metabolic stability
- Metabolic clearance
- Renal excretion
- Fecal excretion
- Elimination half time
- Renal clearance
- Type of elimination
Toxicity
- Toxicity & hepatotoxicity
- Carcinogenicity & mutagenicity
- Drug-drug interactions
- CYP450 inhibition / induction
- CNS-related side effects
- Analysis of risks and potential side effects.
Application of customised tools derived from our ADME/Tox database improve the identification of potential risks in order to reduce clinical failures.
Adsorption
- Volume of distribution
- Plasma protein binding
- Blood brain barrier permeability
- CNS activity
Prediction of
Prediction of
Prediction of
Prediction of
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By using our platform technology, we can detect relationships between complex molecular patterns and specific biological activity of molecules.
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