Applied Virtual Screening: Strategies, Recommendations, and Caveats
Dagmar Stumpfe, Jürgen Bajorath · Methods and principles in medicinal chemistry · 2011
This chapter contains sections titled: Introduction What Is Virtual Screening? Spectrum of Virtual Screening Approaches Molecular Similarity as a Foundation and Caveat of Virtual Screening Goals of Virtual Screening Applicability Domain Reference and Database Compounds Biological Activity versus Compound Potency Methodological Complexity and Compound Class Dependence Search Strategies and Compound Selection Virtual and High-Throughput Screening Practical Applications: An Overview LFA-1 Antagonist Selectivity Searching Concluding Remarks References