The comparison of molecular surfaces by neural networks and its applications to quantitative structure activity studies was written by Polanski, Jaroslaw;Gasteiger, Johann;Wagener, Markus;Sadowski, Jens. And the article was included in Quantitative Structure-Activity Relationships in 1998.Application In Synthesis of 3-Amino-4-methoxybenzonitrile This article mentions the following:
Self-organizing Kohonen neural networks are used to obtain quant. structure-activity relationships. Simple mols. were selected to discuss the essential features of the transformation. Descriptors calculated from maps obtained from comparative studies with template mols. applied to the anal. of compounds derived from butane, as well as Et carboxylates and nitroanilines and aminobenzonitriles (sweet-tasting compounds) can be correlated with various mol. effects. In the experiment, the researchers used many compounds, for example, 3-Amino-4-methoxybenzonitrile (cas: 60979-25-1Application In Synthesis of 3-Amino-4-methoxybenzonitrile).
3-Amino-4-methoxybenzonitrile (cas: 60979-25-1) belongs to nitriles. Nitrile function is a very important functional group because it can be manipulated to other functional groups such as carboxylic acid by hydrolysis or amine by reduction, respectively. Nitriles are susceptible to hydrogenation over diverse metal catalysts. The reaction can afford either the primary amine (RCH2NH2) or the tertiary amine ((RCH2)3N), depending on conditions.Application In Synthesis of 3-Amino-4-methoxybenzonitrile
Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts