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...

Ausführliche Beschreibung

Bibliographische Detailangaben
1. Verfasser:	Bondoc, Ma. Danica Y. (VerfasserIn)
Weitere Verfasser:	Lim, Kate Nicole C. (author .), Samson, Kim Nicole S. (author .), Rivera, Robertson (adviser .)
Format:	Abschlussarbeit
Sprache:	English
Schlagworte:	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.