2024-07-19 Release Note

The update for Hyper Lab on July 19, 2024, has been completed.

Hyper Lab Version : 2024.07.19

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Changelogs

1. Change in Control of Field Activation Within the Bench

Existing fixed display fields that can now have their active status changed

The ability to control the active status has been extended to fields that previously could not be modified. For example, users can now change the active status of fields that were fixedly displayed, such as 'Name' and 'Structure', according to their convenience.

2. Change in Naming and Data Representation of BBB Properties

The naming and data representation method for BBB properties, previously displayed, have been changed as follows:

	As Is	To Be
Name	BBB	BBB penetration
Description	“Permeable” means the compound’s log ([concentration in brain / [concentration in blood]) is likely over -1.	“High” means the compound’s log ([concentration in brain / [concentration in blood]) is likely over -1.
Data representation	Permeable Impermeable	High Low

3. Conversion of All Smiles Formats to ‘Kekulized Model’

The format of Smiles previously provided by HyperLab, which was displayed in the Delocalized model, has been changed to be provided in the ‘Kekulized model’.

• e.g. BTK inhibitor ‘Ibrutinib’

As Is	C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1
To Be	C=CC(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1

4. Improvement of Hyper Design Hierarchy

Some functionalities of the Hyper Design hierarchy page have been enhanced.

(1) Added a 'Draw molecule' feature in the Hyper Design log cards.

Newly added 'Draw molecule' feature on Hyper Design log cards

The 'Draw molecule' feature, previously available only on the molecule cards within the existing hierarchy, has now been added to the Hyper Design log cards within the hierarchy. This allows molecules designed by AI and those added by the user to be managed at the same level in the hierarchy.

Molecules added using the 'Draw molecule' feature from the Hyper Design log cards are displayed in the hierarchy at the same generation as molecules generated by Hyper Design under that log card.

(2) Immediate Addition to Hyper Design Log Card Hierarchy upon Execution

Hyper Design progress displayed on Hyper Design log cards

The process of tracking the progress of Hyper Design calculations has been enhanced to be directly visible within the hierarchy. Previously, this was only possible from the Hyper Design execution screen.

Now, when a Hyper Design is initiated, the corresponding Hyper Design log card is immediately added to the hierarchy, allowing users to monitor the progress of the calculations in real-time.

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Bug fix

Bug fixes and stability improvements have been made.