MolScore-Antivirals

    MolScore-Antivirals identifies and prioritises novel antiviral substances at the earliest stage through analysing the chemical structure of a drug candidate, its ADME characteristics and its molecular targets. The expert system has been validated with novel antiviral compounds which are now in clinical trials.

MolScore-Antivirals near 0:                  => lowest predicted antiviral activity

MolScore-Antivirals near 1:                  => highest predicted antiviral activity
       attractive ADME-profile

MolScore-Antivirals


Download
product
description
(pdf)

 


MolScore-
Antivirals
discriminates between
antivirals
and
molecules with
no antiviral activity ("non-antivirals”).
 


MolScore-
Antivirals
 increases the
hit-rate
.
 

Further Links:
Drug design
and discovery software

Drug development
Cheminformatics
Pharmacokinetics
Bioavailability
Computational chemistry
Molecular
modeling

Preclinical
research

 

 

The expert system uses a number of different strategies to find novel molecules with antiviral activity. Different models like neural networks, decision-trees, structure-ADME-relations, pharmacophore models and affinity prediction to antiviral drug targets have been included. It is complicated to calculate but easy to use!

    MolScore-Antivirals is an expert system, which can detect molecules with antiviral activity. The expert system analyses the probability of a compound to become an antiviral drug and is defined as a value between 0 and 1.

    Expert system for antiviral research
                                                               ==> Hit detection & validation
                                                               ==> Lead selection & prioritisation

© Copyright 2004-2017 PharmaInformatic Boomgaarden. All rights reserved.         Site map             Contact         Terms of Use         Imprint