Each library project requires a unique set of design criteria, but most libraries should have good lead-like properties as the basic starting point. Whether the objective is lead generation or hit-to-lead every project needs chemical matter which is ideally novel, tractable, and has appropriate physico-chemical properties.
In collaboration with Computational Chemistry Resources, we can offer a range of modelling support from library design to homology modelling. Click here to visit CCR's website.
Some useful general references to library design are;
Teague s, Davis A, Leeson P, Oprea T, 1999 'The design of leadlike combinatorial libraries' Angew. Chem. Int. Ed. 38(24), 3743-3748
Lipinski CA, 2001 'Drug-like properties and the causes of poor solubility and poor permeability' J. Pharmacol. Toxicol. Methods, 44, 235-249