Search PubChem 4.2

The app enables users to search for compounds through 'PubChem' and assists in maintaining information on solutions made of those compounds.

I. Compounds Tab

Search the public chemistry database 'PubChem' at the National Institutes of Health (NIH) for chemical compounds. The app facilitates locating a compound by name from a collection of over 111 million compounds, downloading and storing details such as molecular formula, weight, and structure.

Compounds

1. Selecting the "Compounds" tab will display a list of compounds.
   • If there are any solutions made of a compound, a 'droplet' indicator will appear next to the compound's name.
2. Upon selecting a compound, a detailed information view will appear. Refer to the instructions in "Details for a compound".
3. Choosing the "+" button will prompt a search view. Follow the guidelines in "Search for a compound".

Details for a compound

1. Click "Compounds" to return to the compounds table.
2. Click the 'magnifier' icon to open the compound's PubChem page in the default web browser.
3. Click the 'trashcan' icon to delete the compound. Note: This function might not be available if there is a solution involving the compound.
4. Select one of the solutions made of the compound to view its information. See "Details for a solution" below.
5. Click '3D' to visualize a 3D structure. Utilize pan and pinch gestures to rotate and zoom in the scene.

Search for a compound

1. Choose “Compound Name” (“CID”) and enter a compound name (PubChem CID).
2. Click "Search" to connect to PubChem. An activity indicator will display until the search concludes.
   • If successful, the downloaded information will appear.
   • If unsuccessful, an alert will be shown.
3. Press "Save" to store the compound information.
4. Hit "Cancel" to dismiss the screen.

II. Solutions Tab

Select compounds downloaded from 'PubChem' and create a solution. The app allows users to compile a list of compounds with specified quantities dissolved in a solution. For saved solutions, their compositions are displayed in grams and moles.

Solutions

1. Selecting the "Solutions" tab will bring up a list of solutions.
2. Choosing a solution will unveil detailed information. Follow instructions in "Details for a solution".
3. Opting for the "+" button will lead to a search view. Refer to the steps in "Making a solution".

Details for a solution

1. Press "Solutions" to return to the compounds table.
2. Tap the 'action' icon to share a CSV file containing solution data.
3. Click the 'trashcan' icon to eliminate the solution.
4. Select between 'actual' and '%' to display individual compounds' actual or percentage amounts.
5. Choose units among 'gram', ‘mg’, ‘mol’, and ‘mM’.
   • If selecting 'gram’ (‘mg’), 'actual' shows amounts in grams (milligrams) or '%' indicates percentages of weights.
   • If choosing 'mol' (‘mM’), 'actual' presents amounts in moles (millimoles) or '%' reflects molecule count percentages.
6. Select one of the compounds to view its structure and formula. Refer to "Mini details for a compound" below.
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Making a solution

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1. Click "Add Compounds" to access a collection of compounds. See "Compounds collection" below.
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2. The compound names selected from "Compounds collection" will be displayed as “Solution Label”, which can be edited by users..
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3. Choose from options - gram, mg, mol, or mM - for unit and enter an amount..
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4. Click "Save" to create and add a new solution..
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5. Select "Cancel" to dismiss the screen..
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Compounds collection

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1. Select or deselect compounds by clicking on their images..
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2. The chosen compounds are showcased..
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3. Select "Done" to return to "Making a solution"..
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4. Select "Cancel" to dismiss the screen..
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Mini details for a compound