We are happy to announce that this week Mind the Byte has successfully released a new version of the SaaS platform for computational drug design. This new release consists on new versions of our ligand-based softwares, both 2D (Cabrakan, Chaac and Kizin) and 3D (Hurakan and Ik), which include technological improvements and advanced scientific libraries.
Our 2D ligand-based applications now use a consensus similarity that makes use of three different types of molecular fingerprints, each one of them describing the molecules from a different perspective and with a different degree of chemical abstraction. This ensures a high detection power while minimizing false positives.
We invite you to try our new softwares and discover the improved features! You can have a look to our SaaS at https://saas.mindthebyte.com/ (User: Demo_user & Password: user).
In the case of their 3D relatives, both conformers generation and molecular alignment protocols have been improved to ensure a reliable superposition. The 3D comparison is carried out considering shape complementarity and the spatial arrangement of their respective pharmacophoric groups.
Additionally, to enhance the scientific quality of the predictions of our target profiling applications –Cabrakan and Hurakan– Mind the Byte’s biological database has been updated by including improved protocols of data extraction, curation and standardization. This new version contains almost three thousand protein targets and half a million ligands accounting for ca. one million of unique ligand-target interactions.
Moreover, the general look and feel of the platform has been revised with a strong focus on ease of use and ensuring that the experience is intuitive and simple. In this regard, results now can be easily sorted and include colour codes. Also, outputs of each experiment have now a heading with a visual summary and some parameters have been renamed to facilitate the navigation.
At Mind the Byte, we are confident that you will enjoy the new version and are committed to keep working to save you time and money to design new drugs.