Software, Data, and Services for Pharmaceutical Research
CSD data and software guide, inform and reduce risks at every stage for top pharmaceutical companies around the world, including Pfizer, Roche, AstraZeneca, Bristol Myers-Squibb and many more.
From target validation, to hit identification, lead optimization, solid form selection, formulation, and manufacturing, CSD data and software supports your drug development journey.
Advanced docking and virtual screening with GOLD — the well-validated, configurable software for expert drug discovery.
Pharmacophore Search and Analysis
Search and analyse results based on pharmacophore models, to advance your hit to lead and lead optimisation.
Solid Form Analysis
Assess solid form stability, and evaluate the risk of polymorphism, with a range of informatics-based software tools.
These methods complement experimental screening, to prioritize work and even spot issues experimental screens missed.
Perform ligand- and structure-based virtual screening, identify scaffold hops to improve properties or avoid patented space, and search interaction patterns to inspire modifications and improve binding.
Compare crystal forms, assess the risk of solvate formation, and check that hydrogen bonds and aromatic interactions are optimal within your crystal structure.
Examples of CSD data and software in use to discover, develop, and formulate pharmaceuticals from the scientific literature.
Roche Pharmaceutical Research and Early Development
“The breadth and depth of CSD data is enormous today. It covers a lot of space of interest to medicinal chemistry. Plus, you know that every structure you see has been derived from experiment. This leads to very high confidence in predictions based on CSD data, whether you predict a conformation or piece together a new structure from components.”
Dr Martin Stahl, Head of Lead Discovery
MRL, Merck & Co.
“The use of the Cambridge Structural Database (CSD) and of the CCDC software to analyse the data provided an invaluable resource to enable an understanding of the applicability of CSP for predicting solvate formation of drug candidates.”
Dr Luca Iuzzolino, Senior Scientist in Computational Chemistry
Novartis Institutes for Biomedical Research
“It’s clear that the arsenal of intra- and inter-moleuclar interactions available to medicinal chemists is still evolving, as is our understanding of how to best take advantage of them.”
Dr Brian Hurley, Senior Principal Scientist for Global Discovery Chemistry