Marrero-Ponce, Yovani; Medina-Marrero, Ricardo; Torrens, Francisco; Martinez, Yamile; Romero-Zaldivar, Vicente; Castro, Eduardo A. published the article 《Atom, atom-type, and total nonstochastic and stochastic quadratic fingerprints: a promising approach for modeling of antibacterial activity》. Keywords: antibacterial screening QSAR model.They researched the compound: Sodium ((4-aminophenyl)sulfonyl)(6-chloropyrazin-2-yl)amide( cas:23307-72-4 ).Electric Literature of C10H8ClN4NaO2S. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:23307-72-4) here.
The Topol. Mol. Computer Design (TOMOCOMD-CARDD) approach has been introduced for the classification and design of antimicrobial agents using computer-aided mol. design. For this propose, atom, atom-type, and total quadratic indexes have been generalized to codify chem. structure information. In this sense, stochastic quadratic indexes have been introduced for the description of the mol. structure. These stochastic fingerprints are based on a simple model for the intramol. movement of all valence-bond electrons. In this work, a complete data set containing 1006 antimicrobial agents is collected and presented. Two structure-based antibacterial activity classification models have been generated. The models (including nonstochastic and stochastic indexes) classify correctly more than 90% of 1525 compounds in training sets. These models permit the correct classification of 92.28% and 89.31% of 505 compounds in an external test sets. The approach, also, satisfactorily compares with respect to nine of the most useful models for antimicrobial selection reported to date. Finally, a virtual screening of 87 new compounds reported in the anti-infective field with antibacterial activities is developed showing the ability of the models to identify new leads as antibacterial.
In addition to the literature in the link below, there is a lot of literature about this compound(Sodium ((4-aminophenyl)sulfonyl)(6-chloropyrazin-2-yl)amide)Electric Literature of C10H8ClN4NaO2S, illustrating the importance and wide applicability of this compound(23307-72-4).
Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com