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[ Import, Sketch, and Edit | Chemical Spreadsheets | Chemical Search | Pharmacophores | Clustering | Stereoisomers and Tautomers | Combinatorial Libraries | Plots and Histograms ]
2.4.1 How to Import, Sketch, and Edit Chemicals |
How to Import, Sketch, and Edit Chemicals | ||
How to access the ICM Molecular Editor. | HTML GUI Manual | video |
How to sketch chemicals in the ICM Molecular Editor. | HTML GUI Manual | video |
How to save a 2D sketch into a chemical spreadsheet. | HTML GUI Manual | video |
How to save a 2D sketch in mol format. | HTML GUI Manual | video |
How to use SMILES strings to sketch a chemical. | HTML GUI Manual | video |
How to load a mol, sdf or mol2 file. | HTML GUI Manual | video |
How to extract a 2D sketch of a ligand in complex with a PDB structure. | HTML GUI Manual | video |
2.4.2 How to Work with Chemical Spreadsheets |
Working with Chemical Spreadsheets | ||
How to add columns into a chemical spreadsheet. | HTML GUI Manual | video |
How to sort a column(s) in a chemical spreadsheet. | HTML GUI Manual | video |
How to change the view of a chemical spreadsheet - form, table and grid. | HTML GUI Manual | video |
How to copy, cut and paste columns and rows in a chemical spreadsheet. | HTML GUI Manual | video |
How to show and hide columns and rows in a chemical spreadsheet. | HTML GUI Manual | video |
How to save a chemical spreadsheet in sdf format. | HTML GUI Manual | video |
How to export your chemical spreadsheet into Excel. | HTML GUI Manual | video |
How to print a chemical spreadsheet. | HTML GUI Manual | video |
How to filter columns in a chemical spreadsheet. | HTML GUI Manual | video |
How to use find and replace in a chemical spreadsheet. | HTML GUI Manual | video |
How to mark and label rows in a chemical spreadsheet. | HTML GUI Manual | video |
How to insert hyperlinks to the PDB, PubMed, and Uniprot. | HTML GUI Manual | video |
How to copy and paste 2D chemicals. | HTML GUI Manual | video |
How to edit data inside a chemical spreadsheet. | HTML GUI Manual | video |
How to remove salts, explicit hydrogens and standardize chemical groups. | HTML GUI Manual | video |
How to calculate chemical properties in a chemical spreadsheet. | HTML GUI Manual | video |
How to identify duplicate chemicals in a chemical spreadsheet. | HTML GUI Manual | video |
How to compare two chemical spreadsheets. | HTML GUI Manual | video |
How to merge two chemical spreadsheets. | HTML GUI Manual | video |
2.4.3 How to Undertake a Chemical Search |
How to Perform Chemical Searching | ||
How to setup a chemical search. | HTML GUI Manual | video |
How to draw a chemical search query. | HTML GUI Manual | video |
How to add conditions to your chemical search. | HTML GUI Manual | video |
How to search chemical spreadsheets, local databases and MolCart. | HTML GUI Manual | video |
How to send a chemical search query. | HTML GUI Manual | video |
2.4.4 How to Work with Pharmacophores |
How to Work with Pharmacophores | ||
How to draw 2D pharmacophore. | HTML GUI Manual | video |
How to search a 2D pharmacophore. | HTML GUI Manual | video |
How to draw 3D pharmacophore. | HTML GUI Manual | video |
How to extract a 3D pharmacophore from a ligand. | HTML GUI Manual | video |
How to edit a 3D pharmacophore. | HTML GUI Manual | video |
How to send a 3D pharmacophore search query. | HTML GUI Manual | video |
How to color a 2D chemical sketch by pharmacophore feature. | HTML GUI Manual | video |
2.4.5 How to Perform Chemical Clustering |
How to Perform Chemical Clustering | ||
How to perform chemical clustering. | HTML GUI Manual | video |
How to select representative centers from a tree. | HTML GUI Manual | video |
How to reorder branches and change the distance of trees. | HTML GUI Manual | video |
How to edit the tree - labels, spacing and coloring. | HTML GUI Manual | video |
2.4.6 How to Generate Stereoisomers and Tautomers |
How to Generate Stereoisomers and Tautomers | ||
How to generate stereoisomers. | HTML GUI Manual | video |
How to generate tautomers. | HTML GUI Manual | video |
2.4.7 How to Generate Combinatorial Libraries |
How to Generate Combinatorial Libraries | ||
How to enumerate a Markush library. | HTML GUI Manual | video |
How to decompose a library based on a Markush structure. | HTML GUI Manual | video |
How to create a Markush structure. | HTML GUI Manual | video |
How to enumerate a chemical library by reaction. | HTML GUI Manual | video |
2.4.8 How to Generate Plots and Histograms |
How to Generate Plots and Histograms | ||
How to make a histogram. | HTML GUI Manual | video |
How to make an X-Y scatter plot. | HTML GUI Manual | video |
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