Literature DB >> 24376084

HTS navigator: freely accessible cheminformatics software for analyzing high-throughput screening data.

Denis Fourches1, Maria F Sassano, Bryan L Roth, Alexander Tropsha.   

Abstract

SUMMARY: We report on the development of the high-throughput screening (HTS) Navigator software to analyze and visualize the results of HTS of chemical libraries. The HTS Navigator processes output files from different plate readers' formats, computes the overall HTS matrix, automatically detects hits and has different types of baseline navigation and correction features. The software incorporates advanced cheminformatics capabilities such as chemical structure storage and visualization, fast similarity search and chemical neighborhood analysis for retrieved hits. The software is freely available for academic laboratories.
AVAILABILITY AND IMPLEMENTATION: http://fourches.web.unc.edu/

Mesh：

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Year:  2013        PMID： 24376084      PMCID： PMC3928525          DOI： 10.1093/bioinformatics/btt718

Source DB:  PubMed          Journal:  Bioinformatics        ISSN： 1367-4803            Impact factor:   6.937


  5 in total

1.  The Interweaving of Cheminformatics and HTS.

Authors:  Anne Kümmel; Christian N Parker
Journal:  Methods Mol Biol       Date:  2011

Review 2.  Similarity searching using 2D structural fingerprints.

Authors:  Peter Willett
Journal:  Methods Mol Biol       Date:  2011

3.  Substructural fragments: an universal language to encode reactions, molecular and supramolecular structures.

Authors:  A Varnek; D Fourches; F Hoonakker; V P Solov'ev
Journal:  J Comput Aided Mol Des       Date:  2005-11-16       Impact factor: 3.686

4.  Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling research.

Authors:  Denis Fourches; Eugene Muratov; Alexander Tropsha
Journal:  J Chem Inf Model       Date:  2010-07-26       Impact factor: 4.956

5.  Comprehensive characterization of cytochrome P450 isozyme selectivity across chemical libraries.

Authors:  Henrike Veith; Noel Southall; Ruili Huang; Tim James; Darren Fayne; Natalia Artemenko; Min Shen; James Inglese; Christopher P Austin; David G Lloyd; Douglas S Auld
Journal:  Nat Biotechnol       Date:  2009-10-25       Impact factor: 54.908
  5 in total
  5 in total

Review 1.  Use of bacteriophage to target bacterial surface structures required for virulence: a systematic search for antibiotic alternatives.

Authors:  Paul E Orndorff
Journal:  Curr Genet       Date:  2016-04-25       Impact factor: 3.886

Review 2.  Trust, but Verify II: A Practical Guide to Chemogenomics Data Curation.

Authors:  Denis Fourches; Eugene Muratov; Alexander Tropsha
Journal:  J Chem Inf Model       Date:  2016-06-22       Impact factor: 4.956

Review 3.  Data-driven approaches used for compound library design, hit triage and bioactivity modeling in high-throughput screening.

Authors:  Shardul Paricharak; Oscar Méndez-Lucio; Aakash Chavan Ravindranath; Andreas Bender; Adriaan P IJzerman; Gerard J P van Westen
Journal:  Brief Bioinform       Date:  2018-03-01       Impact factor: 11.622

4.  GladiaTOX: GLobal Assessment of Dose-IndicAtor in TOXicology.

Authors:  Vincenzo Belcastro; Stephane Cano; Diego Marescotti; Stefano Acali; Carine Poussin; Ignacio Gonzalez-Suarez; Florian Martin; Filipe Bonjour; Nikolai V Ivanov; Manuel C Peitsch; Julia Hoeng
Journal:  Bioinformatics       Date:  2019-10-15       Impact factor: 6.937

Review 5.  Big data in chemical toxicity research: the use of high-throughput screening assays to identify potential toxicants.

Authors:  Hao Zhu; Jun Zhang; Marlene T Kim; Abena Boison; Alexander Sedykh; Kimberlee Moran
Journal:  Chem Res Toxicol       Date:  2014-09-16       Impact factor: 3.739
  5 in total

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