Collections, history and more much faster

We're excited to announce significant updates to our system architecture and application functionality, designed to enhance performance and improve user experience. In this release, we have updated a lot of things for your convenience. We also added new functionality that will allow you to search for molecules even faster. Here’s what’s new:

February 19, 2024
Collections, history and more much faster

Collect your molecules

Yes, that's right. Now you can create collections for molecules of your choice. It's very simple:

  1. Create a collection
  2. Give it a name
  3. Collect molecules

In the updated molecule card, you can now add the molecule of your choice to a collection.

And if you don't have a collection yet, you can create one right from here and we'll create a collection and put your molecule in it.

History - find what you're looking for

We now store your visit history not only by searches, but also by molecules. Your entire history of interaction with BIOPTIC is sorted here by date.

Remember that you once saw the molecule you are looking for? Simply open the history tab and navigate to the date you are interested in.

History - find what you're looking for

With the introduction of new sections, there was a need to create a convenient BIOPTIC navigation for you. For this purpose, we have implemented a side menu that will help you navigate to the desired section from anywhere or quickly start a new search.

More molecular libraries, more filters, more details

We have added new molecular libraries to the search, here is a list of all supported databases:

  1. PubChem
  2. Enamine REAL 6B
  3. Enamine REAL 40B
  4. Life Chemicals Stock
  5. Life Chemical Tangible
  6. ZINC20

We have also added new properties for each molecule. In addition to Molar refractivity, Rotatable bonds, FSP3 and HAC, we have also added Druglikeness properties, namely:

  1. Eagen
  2. Veber
  3. Lipinski
  4. Ghose

Also, when you search the PubChem database, we also show some of the properties on the molecule page directly from PubChem, and to make sure the data is correct, we will leave you a link to the molecule.

Updates that are not visible at a glance, but have a big impact on performance

System Architecture Improvements:
  • Decoupled Index Package: Our index is now a separate package, accelerating the development and integration of new features.
  • Optimized Metadata Storage: Metadata retrieval is now directly from AWS S3, slashing storage costs by 75%.
  • Enhanced Computing Performance: The computing engine has been rewritten in C++, bringing several advantages:
    • Unified processing for in-memory and in-storage indices, streamlining development with universal code.
    • Full utilization of CPU and network bandwidth, cutting computing costs by 50%.
    • Introduction of a pre-filtering mechanism supporting an arbitrary number of filters for more efficient data processing.
  • Simplified Deployment: Index deployment is now semi-automatic, eliminating manual management and allowing setups in diverse configurations for varied performance and cost needs—setup time is under 1 hour.
Application Enhancements:
  • Multi-Index Support: Our application now supports multiple indices, enabling seamless addition of new indices with minimal code updates.

Updates that are not visible at a glance, but have a big impact on performance

  • New Molecule Card View
  • Ability to create a new search based on the found molecule
  • Ability to remove a molecule from the output data
  • Integration with Freshdesk for quick communication with us and detailed information on how BIOPTIC works (otherwise FAQ)
  • Display number from the top of the search results
  • Two types of pagination with the ability to navigate through selected pages or load results on the current page

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