6533b7d1fe1ef96bd125c069
RESEARCH PRODUCT
Artificial neural network applied to the discrimination of antibacterial activity by topological methods
F. Tomas-vertsubject
Set (abstract data type)Quantitative structure–activity relationshipInterpretation (logic)Artificial neural networkBasis (linear algebra)ChemistryPhysical and Theoretical ChemistryCondensed Matter PhysicsTopologyAntibacterial activityBiochemistrydescription
Abstract A new topological method that makes it possible to discriminate the active and inactive molecules on the basis of their chemical structures is applied in the present study to the antibacterial agents. This method uses neural networks in which training algorithms are used as well as different concepts and methods of artificial intelligence with a suitable set of topological descriptors. It is possible to obtain a QSAR interpretation of the information contained in the network after the training has been carried out.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2000-06-12 | Journal of Molecular Structure: THEOCHEM |