Artificial Neural Network Applied to Prediction of Fluorquinolone Antibacterial Activity by Topological Methods

Journal of Medicinal Chemistry
2000.0

Abstract

A new topological method that makes it possible to predict the properties of molecules on the basis of their chemical structures is applied in the present study to quinolone antimicrobial 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. This makes it possible to determine the minimal inhibitory concentration (MIC) of quinolones. Analysis of the results shows that the experimental and calculated values are highly similar. It is possible to obtain a QSAR interpretation of the information contained in the network after the training has been carried out.

Knowledge Graph

Similar Paper

Artificial Neural Network Applied to Prediction of Fluorquinolone Antibacterial Activity by Topological Methods
Journal of Medicinal Chemistry 2000.0
Topological pattern for the search of new active drugs against methicillin resistant Staphylococcus aureus
European Journal of Medicinal Chemistry 2017.0
Search compounds with antimicrobial activity by applying molecular topology to selected quinolones
Bioorganic & Medicinal Chemistry Letters 2003.0
Application of neural networks: quantitative structure-activity relationships of the derivatives of 2,4-diamino-5-(substituted-benzyl)pyrimidines as DHFR inhibitors
Journal of Medicinal Chemistry 1992.0
HIV-1 Reverse Transcriptase Inhibitor Design Using Artificial Neural Networks
Journal of Medicinal Chemistry 1994.0
Neural networks applied to pharmaceutical problems. III. Neural networks applied to quantitative structure-activity relationship (QSAR) analysis
Journal of Medicinal Chemistry 1990.0
Exploring QSAR of antiamoebic agents of isolated natural products by MLR, ANN, and RTO
Medicinal Chemistry Research 2012.0
QSAR study of flavonoids and biflavonoids as influenza H1N1 virus neuraminidase inhibitors
European Journal of Medicinal Chemistry 2010.0
QSAR study of neuraminidase inhibitors based on heuristic method and radial basis function network
European Journal of Medicinal Chemistry 2008.0
Comparison of Multiple Linear Regressions and Neural Networks based QSAR models for the design of new antitubercular compounds
European Journal of Medicinal Chemistry 2013.0