CLEVER: A general design tool for combinatorial libraries.
CLEVER is a computational tool designed to support the creation, manipulation, enumeration, and visualization of combinatorial libraries. The system also provides a summary of the diversity, coverage, and distribution of selected compound collections. When deployed in conjunction with large-scale virtual screening campaigns, CLEVER can offer insights into what chemical compounds to synthesize, and, more importantly, what not to synthesize. In this chapter, we describe how CLEVER is used and offer advice in interpreting the results.
Lam
Tze Hau
TH
Data Mining Department, Institute for Infocomm Research, Singapore, Singapore.
Bernardo
Paul H
PH
Chai
Christina L L
CL
Tong
Joo Chuan
JC
D055598:Chemical Phenomena; D020650:Combinatorial Chemistry Techniques / Q000379:methods*; D020407:Internet; D054852:Small Molecule Libraries / Q000737:chemistry; D014584:User-Computer Interface
D054852:Small Molecule Libraries