CSD ReCore Index
The CCDC is happy to provide an index for ReCore searches in BioSolveIT’s drug discovery platform SeeSAR.
CSD-based fragments have given the highest quality results for rescaffolding according to the original authors (Maass et al., DOI: 10.1021/ci060094h). Respective fragment libraries (“indices”) have been made available here for the benefit of CSD subscribers.
Molecular Core Replacement with SeeSAR from BioSolveIT
The ReCore Index, based on the CSD, is a database of fragments for rescaffolding. It uses approximately 50 million chemically diverse fragments and observed combinations. ReCore is a third-party software from BioSolveIT which facilitates core replacement, fragment merging, scaffold hopping, and fragment growing. It is also a core component of the drug discovery dashboard SeeSAR and its Inspirator Mode.
![ReCore index image 1](/media/ReCore-index-image-1.png)
ReCore has been developed by Patrick Maas in Matthias Rarey’s group at the ZBH, University of Hamburg, in collaboration with F. Hoffmann-La Roche AG (Basel, Switzerland).
![ReCore index image 2](/media/ReCore-index-image-2.png)
For more details, please see the original ReCore publication: DOI: 10.1021/ci060094h.