Exploring topological indices and entropy measures of phenylacetone monooxygenase by using Python coding.

• Tác giả: Muhammad Faisal Hanif, Muhammad Farhan Hanif, Rashad Ismail, Rimsha Noreen, Muhammad Kamran Siddiqui
• Ngôn ngữ: eng
• Ký hiệu phân loại: 363.1063 Public safety programs
• Thông tin xuất bản: United States : Journal of molecular graphics & modelling , 2025
• Bộ sưu tập: NCBI
• ID: 733827
• Chủ đề: 1. Exploring; 2. Topological; 3. Indices

Tóm tắt

Topological indices are essential for evaluating a compound's physicochemical characteristics. Computing the various topological indices of any molecular structure helps to comprehend their physical characteristics and they are also extremely useful for predicting the properties of chemical and biological compounds in QSPR and QSAR studies.Similarly, Shanon entropy idea a bit different but provide the structural properties of a molecular graph. The atom in the molecular graph of PAMO are considered as a nodes and bonds are weighted edges. For computing the topological indices and edge weight based entropy for phenylacetone monooxygenase enzyme python has been utilized.