دراسة العلاقة الكمية بين الفاعلية والصيغة البنائية باستخدام طريقتي (MLR وPC-ANN ) لبعض المركبات التي لها فعالية على بروتين Translocator (TSPO

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dc.contributor.advisorعمر ذيب
dc.contributor.authorهناء سليم حسين بني عودةar
dc.contributor.authorhanaa Saleem Hussein Baniowdaen
dc.contributor.examinerرفيق قرمان
dc.contributor.examinerDr. Nasr Shraim
dc.date.accessioned2018-10-07T11:30:55Z
dc.date.available2018-10-07T11:30:55Z
dc.date.issued2016-01-05
dc.description.abstractQuantitative structure-activity relationship study was performed to understand the activity of a set of 136 ligands of Translocator protein (TSPO) compounds. QSAR models were developed using multiple linear regression (MLR) as linear method. While principal component - artificial neural networks (PC-ANN) modeling method was used as nonlinear method. The results obtained offer good regression models having good prediction ability. The MLR resulted with models (12-24) which have coefficient of determination (R 2 ) >0.6, the best model (number 24) resulted with correlation coefficient (R) = 0.909, coefficient of determination (R 2 ) = 0.826, and adjusted coefficient of determination (R 2 adj) = 0.788. Cross Validation leave one out (LOO) and leave many out (LMO) were performed on the resulted MLR models, models 19-24 showed a good predictive power. After that principle component analysis (PCA) performed to divide the data into three data sets, then the ANN performed on the chosen models (19-24) from leave one out (LOO) and leave many out (LMO) validation. ANN resulted models were validated through randomization test, then the conditions proposed by Golbraikh and Tropsha were applied to conclude that the QSAR models has acceptable prediction power or not. However the best ANN model with a good predictivepower was model #24, with R test values 0.832en
dc.identifier.other21210100
dc.identifier.urihttps://dspace.alquds.edu/handle/20.500.12213/1330
dc.language.isoen_US
dc.publisherAL-Quds Universityen
dc.publisherجامعة القدسar
dc.subjectالعلوم الصيدلانيةar
dc.subjectPharmaceutical Sciencesen
dc.subject.otherرسالة ماجستيرar
dc.subject.otherدراسات علياar
dc.subject.otherHigher Studiesen
dc.subject.otherMaster Thesisen
dc.titleدراسة العلاقة الكمية بين الفاعلية والصيغة البنائية باستخدام طريقتي (MLR وPC-ANN ) لبعض المركبات التي لها فعالية على بروتين Translocator (TSPOar
dc.titleExploring QSARs of some Translocator protein (TSPO) ligands using MLR and PC-ANN techniquesen
dc.typeThesis
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