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Chemical Spreadsheets

A rich environment for the display, manipulation and analysis of chemical datasets.

Available in ICM-Chemist | ICM-Chemist-Pro | ICM-Pro + VLS

  • Display and manipulate multiple chemical spreadsheets.
  • Custom view options: table, grid, and form views.
  • Find and replace in chemical spreadsheet.
  • Chemical transformations such as charging/discharging basic or acidic groups.
  • Add new entries, insert/delete column or row.
  • Column calculators such as MolWeight() LogP() as well as arithmetics (ColumnZ = ColumnX/ColumnY) see ICM-Chemist-Chemical and Math Functions.
  • Copy, cut, and paste column(s) or row(s).
  • Show/Hide rows.
  • Coloring columns by values contained within the cells.
  • Label and color rows with fast keyboard shortcuts.
  • Sorting and filtering data by column values.
  • Insert hyperlinks automatically into a spreadsheet to connect to dataabses such as PDB, and PubMed.
  • Align/color by 2D scaffold.
  • Print table: individual entries, grid view,
  • Copy/Paste 2D sketches as images.
  • Copy/paste as SD for clipboard exchange with other programs.
  • Intelligent support for special cases of numeric data, e.g. "No Data", >10. , <5.
  • Merge multiple spreadsheets.
  • Compare multiple spreadsheets: e.g. see overlap or see data only in first/second spreadsheet.
  • Simple inline plots such as dose-response curves directly in a spreadsheet cell
  • Import new data columns from other spreadsheets matched by a column (such as ID).
  • Edit chemical and other data types.
  • Chemical spreadsheet standardization: remove salts, remove explicit hydrogens, and standardize groups.
  • One click link to Microsoft Excel: Convert ICM chemical spreadsheets into Excel format including the chemical 2D sketch.

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