2024-02-22 Release Note

The update for Hyper Lab on February 2, 2024, has been completed.

Hyper Lab Version : 2024.02.22

Changelogs

1. My bench Overhaul

Transitioned to a data table format using 'fields,' allowing customization of the Molecule list with user-defined fields.

All Hyper Lab data is now visible as individual fields in My bench.

(1) Field Format Data Provision

All data types provided by HyperLab are displayed as individual fields in My Bench.

[Control of Field Visibility]

The addition and hiding of fields can be controlled through the screen that opens on the right when the 'Field' button at the top of the table is clicked.

It is possible to expose other data as fields in addition to the fields that are basically exposed on the Molecule list page.

[Changing the Order of Fields]

The order of all fields can be changed through the right screen that opens when the 'Field' button is clicked, and the order can only be changed for the 'Fields currently being displayed'.
Without opening the right screen, by dragging the top area of each field exposed in the Molecule list and dropping it to the desired location, the order will be changed to that location.

[Editing Field Data]

Data that were previously editable can also be edited in field form, while calculation results and basic molecular information remain uneditable as before.

(2) Filtering and Sorting within Fields

All fields in the Molecule list provide filtering and sorting functions suitable for each data type.

[Filters]

Filters can be set from the screen that opens to the right when you click the 'Filter' button at the top of the Molecule list table.
Filters are provided for most data fields, although some fields may not offer this function.
- Currently, the Hyper Design field does not provide filtering.
Multiple filters can be set at the same time, and when multiple filters are applied, only molecules that meet all the conditions of the applied filters will be filtered and displayed.

[Sorts]

Sorting can be set from the screen that opens to the right when you click the 'Sort' button at the top of the Molecule list table.
Sorting is available for all fields and can be done in ascending/descending order.
Multiple sorts can be set at once, and when multiple sorts are applied, they are applied sequentially starting from the first sort condition applied.
The order of applied sort conditions can be changed, and when the order is changed, sorting is applied sequentially starting from the first sort condition in the new order.
Clicking the '…' button at the top of each field in the Molecule list allows for sorting that field in ascending/descending order as well. When sorting is set using this feature, all previously applied sorting criteria are deleted, and data is sorted based only on the field for which sorting was set.

(3) A new table viewing method has been added

In addition to the existing viewing format, a new table viewing method has been introduced that allows all molecules to be spread out individually without grouping them into upper/lower hierarchies.

By group: The traditional table view provided by My bench, where the derivatives within the hyper design hierarchy are grouped based on the top molecule.
All molecule: A table view where all molecules existing within the hyper design hierarchy can be seen as individual molecules regardless of their hierarchy.

2. Hyper Design Improvements

Along with the overhaul of My bench, the Hyper Design section has also been improved in terms of usability and some UI aspects.

(1) Change in Hyper Design Hierarchy Structure

The format of the hierarchy structure, which previously expanded vertically from top to bottom, has been changed to expand horizontally from left to right.

(2) Change in the Format of Viewing Hyper Design Tables

[Change in Table Viewing Format]

With the redesign of My bench, the table viewing format within Hyper Design has also been changed to match that of My bench.

Just like in My bench, within Hyper Design, it's now possible to add various fields to customize and analyze the data table according to your preferences.

[Support for Multiple Calculations of Hyper Binding and Hyper ADME/T]

The Hyper Binding and Hyper ADME/T calculations, previously available only in My bench, have been improved to be performed from the Hyper Design table viewing page as well.

(3) Addition of 'Before Molecule' Display in Hyper Design Results

The results screen, where you view the Hyper Design log, has been improved by adding the display of information about the original moelcule before Hyper Design.

This enhancement makes it easier to compare the results of Hyper Design with the original state.

(4) Change in Hyper Design Page Access Method

The method of accessing the Hyper Design page, which previously involved checking a molecule and then clicking a button, has been simplified for easier and more convenient entry.

You can now access the Hyper Design page in the following ways:

Clicking the [Start/Continue] button within the Hyper Design field on My bench
Clicking the [Hyper Design] button in the molecule details page
Clicking the [Hyper Design] button displayed when expanding a derivative in My bench

3. Improvements in Adding Protein Structures

(1) Automatic Setting of Binding Sites When Adding Protein Structures

When adding a protein structure by entering a PDB structure on the Protein structure page, Hyper Lab now automatically sets the appropriate binding site for that protein structure, eliminating the need to set the binding site manually.

*In some protein structures, the binding site may not be set automatically. Please ensure the binding site is correctly set when adding a protein structure.

(2) Multi-Selection Feature for Binding Site Ligands and Residues When Adding Protein Structures

When adding a protein structure, a multi-selection feature has been added for selecting multiple binding site ligands or residues to facilitate research in situations where multiple selections are desired.

After entering the protein structure, click the menu marked 'Select only one' in the Binding site tab to change it to 'Select multiple', allowing for multiple selections of binding site ligands and residues.

4. Enhancements to the Molecule Details Page

(1) Addition of Hyper Design Button

The molecule details page now includes a button that allows users to navigate to the Hyper Design hierarchy to which the molecule belongs.

(2) Improvements to the Similar Compounds Feature

The total number of similar molecules is now displayed in the similar compounds feature area.

In the similar compounds feature, only up to 100 molecules are listed, and if the number of similar compounds exceeds 100, the remaining compounds can be checked on Pubchem.

5. Addition of New Properties to Hyper ADME/T

A new property, BBB (Blood-Brain Barrier), has been added to the Hyper ADME/T calculation results.

6. Change in Execution Mode of the 3D Viewer

The display method of the 3D Viewer has been changed from a popup to opening in a new tab of the browser, improving usability.

7. Addition of Lab Space Name Change Feature

The ability to modify the name of lab spaces has been added.

The name of a lab space can be changed by clicking the 'pencil' icon next to the lab space name on the left sidebar, or through the 'Settings and Members' menu.

Only the 'owner' of the lab space can change its name.

8. Other Improvements

With the revamp of My bench, which turned experiment data into a field, the previously used Experiment menu has been removed. Experiment data can now be used within the experiment field in My bench.

The Ref.molecule page still allows for the use of experiment data as before.