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iDrug: a web-accessible and interactive drug discovery and design platform

Xia Wang1, Haipeng Chen2, Feng Yang2

  • 1Shanghai Key Laboratory of New Drug Design, State Key Laboratory of Bioreactor Engineering, School of Pharmacy, East China University of Science and Technology, Shanghai 200237, China.

Journal of Cheminformatics
|June 24, 2014
PubMed
Summary

A new online tool, iDrug, simplifies computer-aided drug design (CADD) by integrating pharmacophore mapping and 3D similarity searching. This user-friendly platform accelerates early-stage pharmaceutical research for drug discovery.

Keywords:
3D similarity calculationCavity detectionOnline drug design platformPharmacophore searchTarget prediction

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