In-silico Prediction of Human Intestinal Absorption and human oral bioavailability
Poster Apr 08, 2010
Human intestinal absorption (HIA) and human oral bioavailability are two important ADME properties in drug design. We built some in-silico models for classification of human intestinal absorption (HIA) and human oral bioavailability by Kohonen’s self-organizing Neural Network (KohNN), and several quantitative models for prediction of HIA and bioavailability of several subset compounds datasets by Support Vector Machine (SVM).
During early drug discovery, the study of metabolism plays an essential role in determining which drug candidates move forward into development and later stages. As an alternative to traditional Data Dependent Acquisition (DDA), the use of MSE/All Ions Fragmentation (AIF) has become common in metabolite identification workflows for the analysis of metabolic hot spots. Here we present a solution for analysis of MSE/AlF in metID studies.READ MORE