Molecular Descriptors Family on Vertex Cutting: Relationships between Acelazolamide Structures and their Inhibitory Activity
Journal Title: Applied Medical Informatics - Year 2009, Vol 25, Issue 3
Abstract
Aim: To investigate the relationship between the structural information of acetazolamides and their inhibitory activity on carbonic anhydrase II. Material and Method: A sample of previously reported acetazolamides was studied. A pool of descriptors was calculated based on matrix representation and vertex cut in order to be included in the multiple linear regression analysis. The best performing model in terms of goodness-of-fit was analysed in order to assess its validity and reliability. The model was compared with previously reported models using a series of information and prediction criteria besides the Steiger’s Z test. Results: A model with a 99.77% determination coefficient proved to be the best performing model. The obtained model proved to have a less than 5% average of the absolute difference between the observed and the estimated inhibitory activity. The information and prediction criteria showed that the obtained model was better than the previously reported models. This conclusion is also sustained by the results of Steiger’s Z test (7.78; p = 3.66·10-15). Conclusion: The inhibitory activity on carbonic anhydrase II of acetazolamides proved to be of geometric and topologic nature and depended on the compounds’ melting point, relative atomic mass and atomic electronegativity.
Authors and Affiliations
Sorana BOLBOACĂ, Monica MARTA, Carmen STOENOIU, Lorentz JÄNTSCHI
Risk Factors and Severity of Diabetic Retinopathy in Maramureş
Aims: We looked for the factors which can be adjust in order to reduce the frequency and severity of diabetic retinopathy in Maramureş County, Romania. Methods: We done a cross-sectional study of 1269 persons with dia...
From Passive to Active in the Design of External Radiotherapy Database at Oncology Institute "Prof. Dr. Ion Chiricuţă" from Cluj-Napoca
Implementation during 1997 of a computer network at Oncology Institute “Prof. Dr. Ion Chiricuţă" from Cluj-Napoca (OICN) opens the era of patient electronic file where the presented database is included. The database dev...
Sources of information on medicines: a comparation between Romania and other European countries
Doctors are required to discriminate between different types of online information sources. The official source of information on medicines in Romania is the Nomenclatorul medicamentelor published online by the National...
Frequency of Bullying Behaviours in Secondary Schools in Cluj-Napoca
“Bullying” is generally considered to be a specific form of aggressive behaviour. The aim of this paper is the investigation of gender and age-related bully and victim incidence in Cluj-Napoca secondary schools. A survey...
Using Electronic Health Record Systems in Medical Education – A Needs Assessment
The aim of this study was to determine the features needed in electronic health record systems by supervising physicians for teaching medical students and residents. We conducted in-depth semi-structured interviews with...