Related Experiment Video
Updated: Jul 29, 2026

Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids
Published on: April 13, 2022
Design strategies for building drug-like chemical libraries
1Millennium Pharmaceuticals Ltd, Merrifield Centre, Rosemary Lane, Cambridge CB1 3LQ, UK. Tim.Mitchell@mpi.com
Abstract:
There has been increased pressure over the last few years to design and synthesize chemical libraries that are more 'drug-like' in character. This review discusses what 'drug-like' is assumed to be, then examines recent developments in the prediction of 'drug-likeness'. It is noted that, while many methods allow a scientist to identify 'non-drug-like' molecules with a reasonable degree of certainty, a need still exists for physically meaningful descriptors that allow a chemist to design in 'drug-likeness', rather than relying on a computer to screen out unsuitable compounds.
More Related Videos
Related Concept Videos
Molecular Models
Ligand Binding Sites
Protein-ligand interactions are quite specific; even though numerous potential ligands surround a cellular protein at any given time, only a particular ligand can bind to that protein. Moreover, a ligand binds only to a dedicated area on the surface of the protein, known as the...
Ligand Binding Sites
Protein-ligand interactions are quite specific; even though numerous potential ligands surround a cellular protein at any given time, only a particular ligand can bind to that protein. Moreover, a ligand binds only to a dedicated area on the surface of the protein, known as the...
Drug Discovery: Overview
Drug-Receptor Bonds
In...
Structure-Activity Relationships and Drug Design
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence its...

