Fatemi, Mohammad H. published the artcileIn silico cytotoxicity estimation of ionic liquids based on their two- and three-dimensional structural descriptors, COA of Formula: C7H7ClN2, the publication is Monatshefte fuer Chemie (2011), 142(11), 1111-1119, database is CAplus.
The cytotoxicity of a series of ionic liquids containing ammonium, pyrrolidinium, imidazolium, pyridinium, and piperidinium cations against leukemia rat cell line IPC-81 was estimated from their structural parameters using quant. structure-activity relationship methodol. Linear and nonlinear models were developed using genetic algorithm multiple linear regression and multilayer perceptron neural network approaches. Robustness and reliability of the constructed models were evaluated by internal, external, and Y-randomization procedures. Furthermore, the chem. applicability domain was determined via a leverage approach for each model. The results of this study revealed that the contribution of structural characteristics of the anionic parts of the studied ILs were fewer than of the cationic parts.
Monatshefte fuer Chemie published new progress about 17281-59-3. 17281-59-3 belongs to pyridine-derivatives, auxiliary class Pyridine,Nitrile,Salt, name is 1-(Cyanomethyl)pyridin-1-ium chloride, and the molecular formula is C7H7ClN2, COA of Formula: C7H7ClN2.
Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem