“Search Molecules” page can be used to search for molecules similar to the queried molecule in our database.
1. Click button.
2. Draw the molecule you want to search for.
3. Click button.
4. Set the option for searching. For example, the searching conditions in below picture are set to be the absorption > 500 nm and PLQY > 0.1
5. Click button.
6. Check the results.
7. If you want the detail information, click button.
The optical properties of searched molecule are presented. The original reference can be found by clicking button.
How to use Search Molecules (Youtube)
How to use Optical Property
“Optical Property” page can be used to predict optical properties of any molecule in any environments based on the deep learning method.
1. Click button.
2. Draw the molecule you want to predict for.
3. Click button.
4. Draw or select the solvent molecule.
The solvents in the drop-down menu are selected by the 20 most common solvents in our database.
The molecular solid can be described by setting the solvent equal to the chromophore. When the chromophore is already drawn, you can set the “Solid” in the drop-down menu.
5. Click button.
6. Below button, prediction results including the 7 optical properties, spectrum, and CIE coordinates are shown.
How to draw the molecules using ChemDraw
The ChemDraw users can copy and paste the molecule in ChemDraw to out webpage by following procedures.
1. Select the molecule, and click the Molecule > Copy As > SMILES button in ChemDraw, or simply Alt+Ctrl+C.
2. Paste or Ctrl+V in the box to the left of button.
Why isn't molecule found in the database?
If your molecules cannot be found in our database, we haven’t added your molecule with the optical properties in our database yet.
We are continuously expanding our database, but the speed of enlarging database may be slower than expected.
Please let us know what is your molecule and optical properties by sending an e-mail at deep4chem@gmail.com.
We will thank you and we will add your molecules in our database as soon as possible.
