Repurposing drugs against BACE1 receptor using QSAR-Based random forest regression model

Repurposing drugs against BACE1 receptor using QSAR-Based random forest regression model

Quantitative Structure–Activity Relationship (QSAR) has advanced from basic regression analysis of small compound sets to machine learning techniques that analyze large molecular datasets. This study utilized a random forest regressor algorithm to develop a machine learning model that learns structu...

ver descrição completa

Detalhes bibliográficos
Autor principal: Bondoc, Ma. Danica Y. (Author)
Outros Autores: Lim, Kate Nicole C. (author .), Samson, Kim Nicole S. (author .), Rivera, Robertson (adviser .)
Formato: Thesis
Idioma:English
Assuntos:
Quantitative structure-activity relationships (Biochemistry)
Drug discovery > Enzyme inhibitors.
Drug discovery > Pharmaceutical chemistry > Bioinformatics.
Alzheimer’s disease,.
beta-site amyloid precursor protein cleaving enzyme 1 (BACE1.
QSAR model, .
Machine Learning.
Random Forest Regression.
Molecular docking.