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ACD/Structure Elucidator Suite

Elucidate complex structures from experimental data with the help of expert algorithms

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Advanced Chemistry Development, Inc.,  (ACD/Labs)

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ACD/Structure Elucidator Suite is the industry-leading computer-assisted structure elucidation (CASE) software. It provides efficient and accurate workflows for dereplication, verification, component characterization, and de novo structure identification.

  • Perform automatic dereplication from vast spectral libraries
  • Evaluate the fit of experimental data to proposed structures
  • Get unbiased suggestions for alternative structures
  • Perform de novo structure elucidation from experimental data
  • Determine 3D configurations from NMR data

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