Public Computational Chemistry Database Project

- search from CSV file -

Search condition

Search result

  • This tool can read a CSV file, and provide a search system for data in the file.
  • For example, please examine a CSV file generated by our "query system"
  • The search system for CSV file is provided in Javascript, so you can search candidate molecules from the file by using your own machine power.
  • This tool is not restricted for CSV files generated by our web services. You can freely add your molecular entries and data column.
  • Although this tool is very simple, we hope this tool will help you manage your own molecular database.
  • If a column named "PCCDB-ID" exists in the CSV file, a link to "view_mol" for each molecule is automatically created.
  • For a column named "SMILES", a link to "view_mol_from_smiles" is created for each entry.
  • A "2D structure" column is used to draw the 2D molecular structure for each molecule.
  • The "PCCDB-ID", "SMILES", and "2D structure" keywords are not case sensitive. Those keywords give extra function in the table, but those are not necessarily required to use this web service.