Self-organizing Neural Networks for Modeling Robust 3D and 4D QSAR: Application to Dihydrofolate Reductase InhibitorsAuthor(s): Jaroslaw Polanski | Andrzej Bak | Rafal Gieleciak | Tomasz Magdziarz
Journal: Molecules ISSN 1420-3049
Volume: 9; Issue: 12; Start page: 1148; Date: 2004;
Keywords: Self-organizing neural network | 3D QSAR | 4D QSAR | SOM-4D QSAR | CoMSA.
We have used SOM and grid 3D and 4D QSAR schemes for modeling the activity of a series of dihydrofolate reductase inhibitors. Careful analysis of the performance and external predictivities proves that this method can provide an efficient inhibition model.