Ceriani, Lidia;Papa, Ester;Kovarich, Simona;Boethling, Robert;Gramatica, Paola published 《Modeling ready biodegradability of fragrance materials》 in 2015. The article was appeared in 《Environmental Toxicology and Chemistry》. They have made some progress in their research.Recommanded Product: 3,7-Dimethyloctan-3-ol The article mentions the following:
Here, quant. structure activity relations were developed for predicting ready biodegradability of ∼200 heterogeneous fragrance materials. Two classification methods, classification and regression tree (CART) and k-nearest neighbors (kNN), were applied to perform the modeling. The models were validated with multiple external prediction sets, and the structural applicability domain was verified by the leverage approach. The best models had good sensitivity (internal ≥80%; external ≥68%), specificity (internal ≥80%; external 73%), and overall accuracy (≥75%). Results from the comparison with BIOWIN global models, based on group contribution method, show that specific models developed in this study perform better in prediction than BIOWIN6, in particular for the correct classification of not readily biodegradable fragrance materials. Environ Toxicol Chem 2015;9999:1-8. © 2015 SETAC. And 3,7-Dimethyloctan-3-ol (cas: 78-69-3) was used in the research process.
3,7-Dimethyloctan-3-ol(cas:78-69-3) is a fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7.Recommanded Product: 3,7-Dimethyloctan-3-ol Metabolite observed in cancer metabolism. It has a role as a human metabolite.
Reference:
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