A New Way to Search for the Molecules You Need
We're excited to introduce Target Driven Search. This molecule search method allows you to search based on Targets (Proteins). Approach your molecule search in a new way.
We've sourced all Targets from the PubChem database. Additionally, you can learn more detailed information about your selected Target directly on the PubChem site (for which we've provided a link).
In the search bar, simply start typing the Uniprot ID of the Target, and the system will suggest suitable targets, as well as indicate the number of ligands for each target.
Furthermore, for your convenience, we've made some improvements to the search UX. Follow these steps to input your search criteria:
- Enter the Uniprot ID;
- Set the Top K and Activity;
- Choose the database from which you want to see your molecules;
- Of course (if necessary), set pre-filters (Druglikeness, LogP, etc.);
- And start new Target Based Search.
Small changes in navigation and naming
As our system now features two search methods, we had to revise our navigation and update our naming conventions.
The familiar classic search is now named Ligand Based Search, and the new search method, as you've already noticed from the description above, is called Target Driven Search.
A valid question arises: Where did History and Collections go?
You can find them in the bottom of the left menu. Since history and collections are common entities within the system, you can, of course, return to any point in your journey, whether for Ligand Based Search or Target Driven Search. And certainly, you'll be able to save your favorite molecules from either search method.
Small changes in navigation and naming
First thing
You might have noticed the unavailable Data Copilot button in the new navigation. This feature is currently under development and is in its early MVP stage.
It's envisioned to be a chat-style data interaction where you can construct any graph, select any molecule, edit it, initiate a new search, or simply ask for information in a straightforward and intuitive chat interface.
Second thing
At the moment, we're conducting a closed Alpha test for the capability to cluster search results.
The ability to cluster molecules using various methods will allow you to find what you need with even greater precision.
Of course, we're preparing several clustering methods, such as Bemis Murko,…..
Third thing
To simplify working with searches and handling large result sets, we're also testing browser-like exploring directly within BIOPTIC.
You'll be able to open and interact with search results, molecule pages, history, collections, clusters, and other entities in a familiar browser paradigm.
