Search of a topological pattern to evaluate toxicity of heterogeneous compounds
| Autor: | I. Rı́os-Santamarina, Ramón García-Domenech, J.V. de Julián-Ortiz, M.J. Duart, G.M. Antón-Fos, Jorge Galvez, Juan Manuel García-Torrecillas, C. De Gregorio-alapont |
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| Rok vydání: | 2001 |
| Předmět: |
Mathematical model
Databases Factual Molecular Structure business.industry Bioengineering General Medicine Models Theoretical Machine learning computer.software_genre Linear discriminant analysis Structure-Activity Relationship Teratogens Drug Discovery Toxicity Tests Linear Models Molecular Medicine Artificial intelligence business Biological system computer Mathematics Forecasting |
| Zdroj: | SAR and QSAR in environmental research. 12(1-2) |
| ISSN: | 1062-936X |
| Popis: | Molecular connectivity has been applied to the search of mathematical models able to predict the carcinogenic and teratogenic activity of a wide group of structurally heterogeneous compounds. Through the linear discriminant analysis and the diagrams of distribution of pharmacological activity, the classification criteria that minimizes the percentage of error are established. The easiness and speed of the calculation of the descriptors used in this work make the models developed useful in data bases containing a huge number of compounds. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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