Brief introduction of 20375-65-9

A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 20375-65-9

Reference of 20375-65-9, The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature.20375-65-9, Name is 3-Phenyl-6-chloropyridazine, molecular formula is C10H7ClN2. In a Article,once mentioned of 20375-65-9

We report new 3D fragment descriptors to model parameters and properties of stereoisomeric molecules and conformers. New 3D fragment descriptors have been applied to discriminate between stereoisomers in predictive QSPR modeling of the standard free energy (?G) for the 1:1 inclusion complexation of 76 chiral guests with beta-cyclodextrin (beta-CD) and 40 chiral guests with 6-amino-6-deoxy-beta-cyclodextrin (am-beta-CD) in water at 298 K. The in-house software, mfSpace (Molecular Fragments Space), was used for QSPR modeling, generation and coding of the 3D fragment descriptors. The program implements the Singular Value Decomposition for Multiple Linear Regression analysis as machine learning method. We used ensemble modeling techniques which include the generation of many individual models, the selection of the most relevant ones and followed by their joint application to test compounds, i.e., applying a consensus model for average predictions. The models based on 2D and 3D fragment descriptors provide the best predictions in external fivefold cross-validation: root mean squared error RMSE = 1.1 kJ/mol and determination coefficient Rdet2 = 0.918 (beta-CD), RMSE = 0.89 kJ/mol and Rdet2 = 0.910 (am-beta-CD).

A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 20375-65-9

Reference:
Pyridazine – Wikipedia,
Pyridazine | C4H4N2745 – PubChem