Inductive QSAR descriptors. Distinguishing compounds with antibacterial activity by artificial neural networks was written by Cherkasov, Artem. And the article was included in International Journal of Molecular Sciences in 2005.Name: 4-Acetamidophenyl 2-acetoxybenzoate The following contents are mentioned in the article:
On the basis of the previous models of inductive and steric effects, ‘inductive’ electronegativity and mol. capacitance, a range of new ‘inductive’ QSAR descriptors has been derived. These mol. parameters are easily accessible from electronegativities and covalent radii of the constituent atoms and interat. distances and can reflect a variety of aspects of intra- and intermol. interactions. Using 34 ‘inductive’ QSAR descriptors alone we have been able to achieve 93% correct separation of compounds with- and without antibacterial activity (in the set of 657). The elaborated QSAR model based on the Artificial Neural Networks approach has been extensively validated and has confidently assigned antibacterial character to a number of trial antibiotics from the literature. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Name: 4-Acetamidophenyl 2-acetoxybenzoate).
4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Name: 4-Acetamidophenyl 2-acetoxybenzoate
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics