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The First Attempt at Non-Linear in Silico Prediction of Sampling Rates for Polar Organic Chemical Integrative Samplers (POCIS)
[Image: see text] Modeling and prediction of polar organic chemical integrative sampler (POCIS) sampling rates (R(s)) for 73 compounds using artificial neural networks (ANNs) is presented for the first time. Two models were constructed: the first was developed ab initio using a genetic algorithm (GS...
| Autores principales: | , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2016
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5089532/ https://www.ncbi.nlm.nih.gov/pubmed/27363449 http://dx.doi.org/10.1021/acs.est.6b01407 |