Workshop Porto 2025

Joint Porto Workshop with Enamine
"Exploring The Largest Compound Catalog: Enamine's REAL Space"

We invite all scientists, drug discovery enthusiasts, and interested professionals to a workshop in picturesque Porto on September 2, 2025, co-organized with Enamine.

The workshop will focus on the synergy between Enamine’s capabilities to rapidly and reliably deliver compounds for small-molecule discovery projects and BioSolveIT’s technologies that enable efficient searching of gigantic catalogs featuring billions to trillions of compounds to identify relevant chemistry.

Venue

Hotel NEYA Porto

R. de Monchique 35 a 41, 4050-394 Porto, Portugal [Maps]

Sala Pedra

September 2, 2025 7 PM to 8 PM

Doors open at 6:45 PM

Please let us know if you plan to come and send an email to perri[at]biosolveit.de!

Enjoy the Event!

We’ll keep it short and sweet:
After a quick welcome and a glass of wine, join us for laid-back sunset drinks on the rooftop Último SkyBar to unwind together.

Topics of the Workshop

Billions of compounds. Seconds to results. Enamine’s REAL space is one of the largest catalogs for drug discovery and agrochemistry, yet it remains searchable on standard hardware—powered by combinatorial Chemical Spaces. Learn how BioSolveIT’s software lets medicinal and computational chemists traverse these vast spaces and zero in on relevant molecules.
Join us for a workshop that's perfect for professional development in ultra-large screening methods and meeting new peers.
  • Ligand-based exploration of Enamine's REAL Space driven by molecular similarity.
  • Proximal mining for close analogs of compounds of interest applying fingerprint-based algorithms.
  • Introduction to pharmacophore-based searches for scaffold hopping and hit expansion.
  • Creation of tailored target-focused libraries for in-house worklfows (e.g., AI methods).
Looking forward to meet you in Porto!

A Little Something for You

For the especially curious among you, we’ve made a license available so you can tinker on your computer at home or at work. Simply download it along with the relevant BioSolveIT platform and dive into the world of trillions of compounds.
Get your license!

Want to Explore the Whole BioSolveIT World?

Your license comes with a lot of power and can also be used to access our tools!
infiniSee

infiniSee

Dive into Enamine's largest compound catalog with infiniSee and perform ligand-based screenings for closest relatives to a compounds of interest. Several orthogonal search Modes (pharmacophore-based, molecular fingerprints, and substructure-guided) are available to retrieve compounds based on the needs of the project.
Learn More
infiniSee xREAL

infiniSee xREAL

Take a deeper dive into Enamine's compound cluster with infiniSee xREAL. This exclusive version of infiniSee is able to screen the extended version of the REAL Space, featuring more reactions that expand the molecular hunting grounds.
Learn More
SeeSAR

SeeSAR

Test out SeeSAR, BioSolveIT's drug design dashboard for structure- and ligand-based approaches. Perfectly suited for Medicinal Chemists who want to come up with ideas how to improve a compound and to conveniently perform common tasks such as docking and molecule editing.
Learn More