Data Set Used
Induction of cytochrome P450 3A4 (CYP3A4) expression is often implicated in clinically relevant drug-drug interactions (DDI), as metabolism catalyzed by this enzyme is the dominant route of elimination for many drugs. Although several DDI models have been proposed, none have comprehensively considered the effects of enzyme transcription/translation dynamics… (More)
Information on CYP-chemical interactions was comprehensively explored by a text-mining technique, to confirm our previous structure-activity relationship model for CYP substrates (Yamashita et al. J. Chem. Inf. Model. 2008, 48, 364-369). The text-mining technique is based on natural language processing and can extract chemical names and their interaction… (More)
Dock: a web server for network pharmacology-based prediction and analysis.based simulation of general and heterogeneous biophysical models using a GPU.
Knowledge of the interactions between drugs and transporters is important for drug discovery and development as well as for the evaluation of their clinical safety. We recently developed a text-mining system for the automatic extraction of information on chemical-CYP3A4 interactions from the literature. This system is based on natural language processing… (More)
The quality-by-design concept is a new regulatory paradigm for pharmaceutical development, while the response surface method (RSM) is a promising approach for understanding design parameters for drug formulations. RSM aims to provide a visual image to support statistical design and analysis of experiments. However, neither contour plots nor 3D surface plots… (More)