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IChem specifications


Unique identifier OMICS_32943
Name IChem
Software type Application/Script
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux
Programming languages C++
Computer skills Advanced
Stability Stable
Maintained Yes




No version available


  • person_outline Didier Rognan

Publications for IChem

IChem citations


A novel interaction fingerprint derived from per atom score contributions: exhaustive evaluation of interaction fingerprint performance in docking based virtual screening

J Cheminform
PMCID: 5856854
PMID: 29549526
DOI: 10.1186/s13321-018-0264-0

[…] We gratefully thank Didier Rognan for providing the implementation of IFP and TIFP in the tool IChem and the anonymous reviewers for their constructive advices. We acknowledge financial support by Deutsche Forschungsgemeinschaft and TU Dortmund University within the funding programme Open Acces […]


Replication Study: Transcriptional amplification in tumor cells with elevated c Myc

PMCID: 5760205
PMID: 29313490
DOI: 10.7554/eLife.30274.016

[…] were washed with TBST and incubated with ECL Prime Chemiluminescent reagent (Sigma-Aldrich, cat# GERPN2232) according to the manufacturer’s instructions. Western blot images were acquired with G:BOX iChem XT and GeneSnap software (RRID:SCR_014249), version 7.12.02 (Syngene, Frederick, Maryland) and quantified using ImageJ software (RRID:SCR_003070), version 1.50i (). All images taken are availabl […]


Comparison of Cobas 6500 and Iris IQ200 fully automated urine analyzers to manual urine microscopy

PMCID: 5082210
PMID: 27812305
DOI: 10.11613/BM.2016.040

[…] ls were used for precision (between- and within-run variations) and carry-over measurements.The Cobas 6500 platform combines the Cobas u601 and Cobas u701 analyzers, while the Iris IQ200 combines the IChem Velocity and IQ200 Elite. We compared the urine microscopy units (Cobas u701 and IQ200 Elite) to manual urine microscopic analysis, using similar evaluation parameters (cells/particles per low-p […]


The Principles of Ligand Specificity on beta 2 adrenergic receptor

Sci Rep
PMCID: 5050457
PMID: 27703221
DOI: 10.1038/srep34736

[…] The interaction fingerprint between protein and ligand was done with IChem. We first extracted the final 100 snapshots of the MD simulation, and shortlisted the residues with atoms less than 5 Å away from any ligand atoms. We then used IChem to convert protein−ligand c […]


Decreased FOXF1 promotes hepatocellular carcinoma tumorigenesis, invasion, and stemness and is associated with poor clinical outcome

PMCID: 4809324
PMID: 27042124
DOI: 10.2147/OTT.S95002

[…] eparately incubated with the membranes at 4°C overnight. Then, secondary antibodies were added and the membranes were incubated at room temperature for 2 hours. Protein bands were detected on a G:Box iChem Imager (Syngene, Cambridge, UK) using enhanced chemiluminescence (Pierce; Thermo Fisher Scientific). […]


Evaluation of Novel Urinary Tract Infection Biomarkers in Children

PMCID: 4899233
PMID: 26885759
DOI: 10.1038/pr.2016.33

[…] in the ED/UC. Dipstick urinalyses were performed either in the ED or UC laboratory using the CLINITEK Status®+ Analyzer (Siemens, Tarrytown, NY, USA) or in the hospital chemistry laboratory using the iChem® Velocity™ instrument (Iris Diagnostics, Chatsworth, CA, USA). Urine was plated by clinical microbiology laboratory staff using calibrated loops and cultured on 5% sheep blood and MacConkey agar […]


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IChem institution(s)
Laboratoire d’Innovation Therapeutique, UMR 7200 CNRS-Universite de Strasbourg, Illkirch, France; Discovery Chemistry Research and Technologies, Eli Lilly and Company, Lilly Corporate Center, Indianapolis, IN, USA;
IChem funding source(s)
Supported by the Centre National de la Recherche Scientifique (CNRS), the Alsace Region, and the Institut de Recherches Servier, and the MEDALIS Drug Discovery Center (LABEX ANR-10-LABX0034_Medalis).

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