Trainable QSAR Model of Plasma Protein Binding and its Application for Predicting Volume of Distribution Platform Agnostic Data Processing Routine for Targeted and Untargeted Metabolite Identification in Drug Discovery

摘要

MetaSense provides an automated and efficient platform for metabolism studies carried out on data from different instrument vendors, without compromising the quality of interpretation. The process of identifying potential metabolite peaks, interpretation of fragments, and generation of biotransformation maps significantly improves the speed of data interpretation and thereby the quantity of samples that can be anayzed. Metabolite ID and DMPK experts responsible for metabolism studies would save significant time and effort by applying this software aided approach.