|Introduction||WebRead v1.x/1.1/||This space available|
This is the front door to WebRead. It allows you to read a variety of molecular data files. The files typically have structures and data for a number of molecules. The data in these files is put into a table with one row per molecule. The columns contain the data pertaining to the molecule in each row. The possible input file types are table, sd, tdt, smi, pd-list, and acd-list. For pd-list and acd-list files, the structures and data are retreived from the CBI Unity database copy.
Once the input file is read, you can simply save the table created, or you may proceed on to the main display and manipulation section of WebTables, VisualiSAR, etc. In WebTables, for example you can display selected rows and columns of data. You may display structures if your table contains SMILES or SLN. You can also create new columns of data using several computational tools, such as clogp and cmr.