RS-WebPredictor:a server for predicting CYP-mediated sites of metabolism on drug-like molecules

Summary: Regioselectivity-WebPredictor (RS-WebPredictor) is a server that predicts isozyme-specific cytochrome P450 (CYP)-mediated sites of metabolism (SOMs) on drug-like molecules. Predictions may be made for the promiscuous 2C9, 2D6 and 3A4 CYP isozymes, as well as CYPs 1A2, 2A6, 2B6, 2C8, 2C19 and 2E1. RS-WebPredictor is the first freely accessible server that predicts the regioselectivity of the last six isozymes. Server execution time is fast, taking on average 2s to encode a submitted molecule and 1s to apply a given model, allowing for high-throughput use in lead optimization projects. Availability: RS-WebPredictor is accessible for free use at http://reccr.chem.rpi.edu/Software/RS-WebPredictor/ Contact: [email protected]

The specificity of American higher education

The possibility—and potential pitfalls—of an “Americanization” of European higher education are widely discussed. This paper argues that it is important to base comparisons and considerations of possible emulation on a stronger understanding of the specificity of American higher education. It stresses the importance of seeing this as a system with highly differentiated institutions and complex contextual relations. The present paper also summarizes dramatic changes that have transformed American higher education in recent years, and others that are beginning to transform it further. This shows the system to be internally dynamic and also influenced by important external conditions (including matters of finance, public policy, and new technology). The U.S. system is only understood well if analysis locates specific patterns in relation to these structural transformations. Such specificity should inform future comparative research