Chemical Spreadsheets

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

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.