Gamidi, Rama Krishna published the artcileEstimation of Melting Temperature of Molecular Cocrystals Using Artificial Neural Network Model, COA of Formula: C6H5IN2O2, the main research area is estimation melting temperature mol cocrystal artificial neural network model.
A Quant. Structure-activity Relationship (QSAR) model has been constructed by Artificial Neural Networks (ANNs) for estimation of melting temperature (Tm) of mol. cocrystals (CCs). Based on a literature anal. using Scifinder and Cambridge Structural Database (CSD) softwares, a database has been created over CCs for four Active Pharmaceutical Ingredients (APIs), namely, i.e. caffeine (CAF), theophylline (THP), nicotinamide (NA) and isonicotinamide (INA). In total, of 61 CCs were included: 14-CAF, 9-THP, 29-INA and 9-NA. A good correlation was obtained with ANNs to quantify the Tm of the CCs with respect to various coformers (COF). The training process was completed with an average relative error of 2.38%, whereas the relative error for the validation set was 2.89%.
Crystal Growth & Design published new progress about Cocrystallization. 105752-04-3 belongs to class iodides-buliding-blocks, name is 4-Iodo-3-nitroaniline, and the molecular formula is C6H5IN2O2, COA of Formula: C6H5IN2O2.
Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com