Computational Chemistry, Molecular Complexity and Screening Set Design
Michael M. Hann, Andrew R. Leach, Darren V. S. Green · Methods and principles in medicinal chemistry · 2005
This chapter contains sections titled: Introduction Background Concepts: the Virtual, Tangible and Real Worlds of Compounds, the “Knowledge Plot” and Target Tractability The Construction of High Throughput Screening Sets Compound Filters “Leadlike” Screening Sets Focused and Biased Set Design Conclusion