New release out – 2025.01

Picture of Enric Herrero

Enric Herrero

Chief Technology Officer

We’re excited to announce the release of Pharmacelera’s 2025.01 software update!

 

What’s New in 2025.01?

 

🔹 Custom Ultra-Large Library Generation – The new exaScreen®-intra add-on allows you to generate exaScreen®-compatible libraries from your own internal Building Blocks and chemical reactions.

 

🔹 Advanced Filtering OptionsPharmScreen® now supports enhanced substructure pattern matching, enabling more precise compound searches.

 

🔹 Boosted Performance & Scalability – Both PharmScreen® and exaScreen® now support processors with hundreds of threads, delivering significantly faster results.

 

🔹 Updated Screening Libraries – Our latest screening libraries now include:

  • Enamine Screening Collection
  • Molport
  • Enamine REAL Space (now featuring 70 billion compounds, screenable in under 7 hours, using less than 6 GB of storage).

🔹 Expanded File Format Support – Molecular field projections and QSAR model coefficients can now be exported in DX and GRD formats, ensuring compatibility with a wider range of visualizers.

 

🔹 PharmQSAR® Integration in MolXplore – You can now visualize PharmQSAR® models directly in MolXplore, making SAR analysis of QSAR coefficients more intuitive.

Request your license

Contact

CONTACT INFORMATION

HEADQUARTERS

Torre R, 4a planta, Despatx A05, Parc Científic de Barcelona (PCB). C/ Baldiri Reixac 4-8 08028 Barcelona