Cheminformatics
Chemical Space

Scaffold-Based Libraries Versus Make-on-Demand Space: A Comparative Assessment of Chemical Content.

The scaffold-based and the reaction-based approaches to virtual library creation, analyzed here using ≈1.5 million amide and sulfonamide products, generate distinct ensembles when …

Bui, L.
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Small Molecule Libraries/Chemistry/Chemical Synthesis/Pharmacology

The IMS Library: from IN-Stock to Virtual.

A chemical library is a key element in the early stages of pharmaceutical research.

Djikic-Stojsic, T.
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Cheminformatics

ConsDock: A new program for the consensus analysis of protein–ligand interactions

Protein-based virtual screening of chemical libraries is a powerful technique for identifying new molecules that may interact with a macromolecular target of interest.

Paul, N.
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