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

Denis Fourches1, Maria F Sassano, Bryan L Roth

  • 1Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill and Department of Pharmacology and the NIMH Psychoactive Drug Screening Program, School of Medicine, University of North Carolina Chapel Hill School of Medicine, Chapel Hill, NC 27599, USA.

Bioinformatics (Oxford, England)
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Summary
This summary is machine-generated.

A new software, HTS Navigator, analyzes high-throughput screening (HTS) data from chemical libraries. It aids in hit detection and cheminformatics analysis, offering advanced features for academic researchers.

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Area of Science:

  • Computational chemistry
  • Drug discovery informatics

Background:

  • High-throughput screening (HTS) generates large datasets.
  • Analyzing HTS data requires specialized tools for efficiency.

Purpose of the Study:

  • To develop HTS Navigator software for HTS data analysis and visualization.
  • To provide advanced cheminformatics capabilities for hit analysis.

Main Methods:

  • Developed HTS Navigator software.
  • Integrated processing for various plate reader formats.
  • Implemented baseline correction and hit detection algorithms.

Main Results:

  • HTS Navigator processes diverse HTS output files.
  • Software performs automated hit detection and baseline correction.
  • Includes chemical structure visualization and similarity search.

Conclusions:

  • HTS Navigator facilitates efficient analysis of HTS data.
  • The software offers advanced cheminformatics tools for hit compounds.
  • Freely available for academic laboratories to support research.