Search Stock
Search Stock is a tool to manage the stock of chemical compounds in your lab. The view is divided into three main sections: the search and print section on the left, the list of the compounds in the middle, and the details of the selected compound on the right.
Searching for a Compound
To search for a specific compounds within the stock, you can draw a structure on the left panel and either select the substructure or the similarity search. The substructure search will return all compounds that contain the drawn structure, while the similarity search will return all compounds that are similar to the drawn structure. It is also possible to search by a name in the search bar.
Once the substructure or the similar structure is drawn, the search results will be displayed on the right panel. It is possible to click on one of the compounds to get additional information.
Advanced Query Features
Advanced Query features
You can fine-tune the search by specifying atomic and bond properties. These options can be accessed by hovering over the atom or bond of interest and pressing q. For example, you can allow certain atoms at this specific position, or you can modify the ring size.
Furthermore, you can include separate molecules in the search. This will result in structures containing both fragments with no restrictions on orientation or connectivity. One of the molecules can be selected and excluded from the search. It removes the structures completely from the search results. The excluded fragment is highlighted in pink.
Stock Information
On the right panel, you can find all the information about the selected compound. The information includes the molecular formula, the structure, the molecular weight, the quantity, the location, the purity, and many more details that can be provided.
Note that the products are grouped by structure, a given structure can have multiple references representing different batches of the same compound.
It is easy to change the status of a product. You can change the quantity, the location, the purity, whether the product is available or not. The modifications will be saved in the Stock modification history.
The Stock modification history shows the history of the stock modifications. It is possible to see the status, the location, the user that made the modification and the date of the modification of the product.
Print
To print the current state of the stock status for a specific compound, you can click on the Print button. This will create a PDF file with all the information about the compound. You can choose the printer and the location in the following panel.
