Chemoinformatics is the branch of chemistry field which develops the tools related to databases, calculation of descriptors, data visualization and analysis, and representation of molecules etc. The review described the computational tools used in chemoinformatics for the advancement in scientific research. Here, we presented various chemoinformatics tools related to databases both public and commercial, data curation, visualization and analysis of data. Open-source tools are highlighted and significance of each tool are mentioned in this chapter.

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Computational Tools Employed in Chemoinformatics

  • Gouthami Thumma,
  • Prabhakar Reddy Veerareddy,
  • Gangarapu Kiran

摘要

Chemoinformatics is the branch of chemistry field which develops the tools related to databases, calculation of descriptors, data visualization and analysis, and representation of molecules etc. The review described the computational tools used in chemoinformatics for the advancement in scientific research. Here, we presented various chemoinformatics tools related to databases both public and commercial, data curation, visualization and analysis of data. Open-source tools are highlighted and significance of each tool are mentioned in this chapter.