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CCDC > Discover New Molecules

Discover New Molecules

CSD-Discovery

For pharmaceutical and agrochemical researchers, the CSD-Discovery computer-aided drug discovery software suite provides all the tools you need to discover new molecules.

What is Included in CSD-Discovery?

CSD-Discovery provides access to a range of software and database tools covering scientific applications within the drug discovery field, from knowledge-driven conformer generation to the search and analysis of protein-ligand complexes.

The suite provides full access to the data within the Cambridge Structural Database (CSD), and to the range of essential search, visualisation and analysis features available within CSD-Core.

CSD-Discovery is also available as part of our CSD-Enterprise package which also includes access to CSD-Materials.

Over 400,000 PDB protein-ligand binding sites are included within CSD-CrossMiner and the Macromolecule Hub.

Included

CSD

The world’s database of validated and curated small-molecule organic and metal-organic crystal structures.

CSD Conformer Generator

Generate plausible conformations, and diverse conformer ensembles, based on experimental data.

CSD Python API

Custom, repeatable, programmatic search and analysis of structural chemistry data.

CSD-CrossMiner

Intuitive data mining to match molecules to targets.

GOLD

Validated protein-ligand docking with standard rapid or expert customized settings, and no tokens.

Macromolecule Hub

Mine the PDB and CSD global databases in one online platform.

Mercury

View, understand, and perform advanced analyses on crystal structures.

SuperStar

Visually probe protein-ligand structures and understand their binding sites.