wwLigCSRre specifications

Information


Unique identifier OMICS_13830
Name wwLigCSRre
Interface Web user interface
Restrictions to use None
Input data One compound (mono conformation)
Input format MOL2
Output data The server will return a score file (a file of bank compounds ranked by similarity scores), and a mol2 file containing the best compounds superposed onto the query.
Output format MOL2
Computer skills Basic
Version 1.1
Stability Stable
Maintained Yes

Publication for wwLigCSRre

wwLigCSRre citation

library_books

PTS: a pharmaceutical target seeker

2017
PMCID: 5750839
DOI: 10.1093/database/bax095

[…] . SEA () and SuperPred () are typical ligand-based approaches that use ligand databases and compound topological (2D) similarity measurements. Other methods, such as Chemmapper (), Superimpose () and wwLigCSRre () use 3D structure similarity metric to predict protein targets. 2D and 3D similarity measurements are complimentary, and 3D similarity measurements seem capable of picking novel chemotype […]

wwLigCSRre institution(s)
MTi, INSERM UMR-S973, Université Paris Diderot - Paris 7, Paris, France; CDithem, Université Paris Diderot - Paris 7, Paris, France; CEA/DSV/iBiTec-S/ SB2SM (CNRS URA 2096), Gif-sur-Yvette, France; RPBS, Université Paris Diderot-Paris 7, Paris, France
wwLigCSRre funding source(s)
This work was supported by the INSERM.

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