Public Computational Chemistry Database Project
View & API
convert to 2D mol
convert to 3D mol
create QC in-files
search from CSV
- search from CSV file -
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 "
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 "
" exists in the CSV file, a link to "
" for each molecule is automatically created.
For a column named "
", a link to "
" is created for each entry.
" 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.