排序方式: 共有2条查询结果,搜索用时 62 毫秒
1
1.
Mohammad Goodarzi Erlinda V. Ortiz Leandro dos S. Coelho Pablo R. Duchowicz 《Atmospheric environment (Oxford, England : 1994)》2010,44(26):3179-3186
This work aims to predict the air to water partitioning for 96 organic pesticides by means of the Quantitative Structure–Property Relationships Theory. After performing structural feature selection with Genetics Algorithms and Replacement Method linear approaches, it is found that among the most important molecular features appears the Moriguchi octanol–water partition coefficient, and higher lipophilicities would lead to compounds having higher Henry’s law constants. We also compare the statistical performance achieved by four fully-connected Feed-Forward Multilayer Perceptrons Artificial Neural Networks. The statistical results found reveal that the best performing model uses the Levenberg–Marquardt with Bayesian regularization (BR) weighting function for achieving the most accurate predictions. 相似文献
2.
Saavedra Laura M. Romanelli Gustavo P. Duchowicz Pablo R. 《Environmental science and pollution research international》2020,27(6):6205-6214
Environmental Science and Pollution Research - A set of 263 plant-derived compounds with larvicidal activity against Aedes aegypti L. (Diptera: Culicidae) vector is collected from the literature,... 相似文献
1