Generate New Molecules

Here is how to generate new molecules using the trained Hyper Screening X model:

1. Initiate New Molecule Generation

Click the [Generate new molecules] button on the molecule generation page.

At the top right of the molecule generation page, click the Generate new molecules button to launch the new molecule generation interface.

2. Generate new molecules

‘Generate new molecules’ screen

(1) Select a Trained Model

To generate new molecules, you first need to select a trained model.

Choose a model from the list on the left and review the model’s details on the right.

[Information available in the list]

Column	Description
Model tag	The tag that will be added to the ‘Hyper Screening X model’ field of the molecules generated by the model.
Model name	The name entered during model training.
Molecule code	The code that will be used when naming molecules generated by this model. The name of the generated molecule will be displayed as ‘Molecule code-Generation number’.
Protein name	The name of the protein that was the basis for the model training.
Trained by	The project member who executed the model training.
Completion date	The date the model training was completed.

(2) Set the Number of Molecules to Generate

Once the model is selected, set the number of molecules to be generated by the model.

You can set the number of molecules to generate from a minimum of 50 to a maximum of 500 (in increments of 50).

(3) Request Molecule Generation

After selecting the model and setting the number of molecules to generate, click the Generate molecules button to start the molecule generation.

It will take some time to complete the molecule generation.

[Tokens Needed for Molecule Generation]

One Hyper Screening X token is required for generate new molecules.

*Hyper Screening X tokens are provided specifically for lab spaces using Hyper Screening X, separate from tokens used for other features.