Importance of cytochromes in cyclization reactions: Quantum chemical study on a model reaction of proguanil to cycloguanil.
Minhajul ArfeenDhilon S. PatelSheenu AbbatNikhil TaxakPrasad V. BharatamPublished in: J. Comput. Chem. (2014)
Keyphrases
- theoretical framework
- mathematical model
- high level
- parameter estimation
- neural network
- network model
- probabilistic model
- management system
- simulation model
- computational model
- theoretical foundation
- simulation study
- chemical reactions
- hybrid model
- prediction model
- statistical model
- input data
- cost function
- expert systems
- case study
- decision making