Recently I am researching about PREDICTION; MOLECULES, Saw an article supported by the Provincial Natural Science Foundation of HunanNatural Science Foundation of Hunan Province [2020JJ6012]; Open Project Program of Hunan Provincial Key Laboratory of Environmental Catalysis & Waste Regeneration (Hunan Institute of Engineering) [2018KF11]. Published in NATURE RESEARCH in BERLIN ,Authors: Zeng, RL; Deng, JY; Dang, LM; Yu, XL. The CAS is 614-18-6. Through research, I have a further understanding and discovery of Ethyl nicotinate. Recommanded Product: 614-18-6
A three-descriptor quantitative structure-activity/toxicity relationship (QSAR/QSTR) model was developed for the skin permeability of a sufficiently large data set consisting of 274 compounds, by applying support vector machine (SVM) together with genetic algorithm. The optimal SVM model possesses the coefficient of determination R-2 of 0.946 and root mean square (rms) error of 0.253 for the training set of 139 compounds; and a R-2 of 0.872 and rms of 0.302 for the test set of 135 compounds. Compared with other models reported in the literature, our SVM model shows better statistical performance in a model that deals with more samples in the test set. Therefore, applying a SVM algorithm to develop a nonlinear QSAR model for skin permeability was achieved.
Recommanded Product: 614-18-6. About Ethyl nicotinate, If you have any questions, you can contact Zeng, RL; Deng, JY; Dang, LM; Yu, XL or concate me.
Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem