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Pharmacophores are available on web service
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sverhoeven committed Mar 28, 2018
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Expand Up @@ -77,6 +77,7 @@ The data set has been published at [![DOI](https://zenodo.org/badge/doi/10.5281/
All fragments form all proteins-ligand complexes in PDB compared with all.

* Fragments sqlite database - Download from http://3d-e-chem.vu-compmedchem.nl/kripodb/fragments.sqlite
* Pharmacophores database - Download from http://3d-e-chem.vu-compmedchem.nl/kripodb/pharmacophores.h5
* Similarity matrix - Can be queried on webservice at http://3d-e-chem.vu-compmedchem.nl/kripodb. For build instructions see http://kripodb.readthedocs.io/en/latest/data-update.html
* Fragment fingerprints - See http://kripodb.readthedocs.io/en/latest/data-update.html for instructions how to convert to a similarity matrix

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