Admans, Gary published the artcileArtificial neural network for predicting the toxicity of organic molecules, COA of Formula: C7H5Cl2NO, the publication is Bulletin of the Chemical Society of Japan (2001), 74(12), 2451-2461, database is CAplus.
Structure-activity relationships for aquatic toxicity were studied using neural networks and linear regression anal. The structural features contributing to toxicity were identified in mols. exhibiting a level of toxicity greater than that of non-reactive organic mols. A neural network was trained for the toxicity of non-polar narcotics, polar narcotics, or reactive toxicants. Quant. structure-activity relationships (QSARs) were developed, relating a mol. aquatic toxicity to its log P and to a set of 16 structural descriptors based upon the presence of selected structural features. The inclusion of these structural descriptors into a QSAR was found to enhance the correlation of the equation, and thus to improve its ability for predicting aquatic toxicity.
Bulletin of the Chemical Society of Japan published new progress about 2447-79-2. 2447-79-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Amide, name is 2,4-Dichlorobenzamide, and the molecular formula is C7H5Cl2NO, COA of Formula: C7H5Cl2NO.
Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics