ZINCPharmer: pharmacophore search of the ZINC database

@inproceedings{Koes2012ZINCPharmerPS,
  title={ZINCPharmer: pharmacophore search of the ZINC database},
  author={David Ryan Koes and Carlos J. Camacho},
  booktitle={Nucleic Acids Research},
  year={2012}
}
ZINCPharmer (http://zincpharmer.csb.pitt.edu) is an online interface for searching the purchasable compounds of the ZINC database using the Pharmer pharmacophore search technology. A pharmacophore describes the spatial arrangement of the essential features of an interaction. Compounds that match a well-defined pharmacophore serve as potential lead compounds for drug discovery. ZINCPharmer provides tools for constructing and refining pharmacophore hypotheses directly from molecular structure. A… CONTINUE READING

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