Improving structure based models for predicting chemical functions and weight fractions in cosmetic products using ensemble support vector machine was written by Vojinovic, Tanja;Kascelan, Ljiljana;Potpara, Zorica;Radonjic, Natasa;Kascelan, Zorka. And the article was included in Farmacia (Bucharest, Romania) in 2022.Electric Literature of C8H10NO6P The following contents are mentioned in the article:
Through usage of a large number of cosmetic products, consumers are very often exposed to toxic chems. This paper aimed to propose a model for the prediction of chem. functions and weight fractions in these products based on the structural and physico-chem. properties of the substances. Due to the imbalance of classes we used Support Vector Machine (SVM) method, which can complement a smaller class with the examples that are most similar to it and identify the examples that are most different. The generality of the SVM method was addnl. enhanced by combining it with ensemble Bootstrap Aggregation (Bagging). The research results showed that the proposed bagging SVM method can overcome the disadvantages of previously applied methods. Furthermore, it can help address the lack of information needed to assess exposure to risk from the use of cosmetic products containing toxic chems. in their composition The proposed models can be applied to predict whether a certain chem. may be a substitute for a function performed by another possibly toxic chem. in a cosmetic product, as well as to determine the quantity proportion of a certain dangerous chem. on the basis of its chem. structure and physico-chem. properties. This study involved multiple reactions and reactants, such as (4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate (cas: 54-47-7Electric Literature of C8H10NO6P).
(4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate (cas: 54-47-7) belongs to pyridine derivatives. Pyridine’s the lone pair does not contribute to the aromatic system but importantly influences the chemical properties of pyridine, as it easily supports bond formation via an electrophilic attack. Several pyridine derivatives play important roles in biological systems. While its biosynthesis is not fully understood, nicotinic acid (vitamin B3) occurs in some bacteria, fungi, and mammals.Electric Literature of C8H10NO6P