Barcelona, Spain, and Kyiv, Ukraine, 15 December 2022. Pharmacelera, the leading provider of computational tools for hit discovery, and Enamine, the developer of REAL Database – the world’s largest virtual library of highly feasible compounds, have announced a partnership to jointly provide an efficient solution for hit finding. Ultra-large chemical libraries are observed as one of the key paradigms to access an unexplored chemical space. How to traverse these enormous spaces accurately is a research area that has raised the interest of the pharmaceutical industry, since finding novel hits with chemical diversity is a fundamental pillar in drug discovery.

Barcelona, Spain, and Kyiv, Ukraine, 15 December 2022. Pharmacelera, the leading provider of computational tools for hit discovery, and Enamine, the developer of REAL Database – the world’s largest virtual library of highly feasible compounds, have announced a partnership to jointly provide an efficient solution for hit finding. Ultra-large chemical libraries are observed as one of the key paradigms to access an unexplored chemical space. How to traverse these enormous spaces accurately is a research area that has raised the interest of the pharmaceutical industry, since finding novel hits with chemical diversity is a fundamental pillar in drug discovery.

In this context, Pharmacelera and Enamine have reached an agreement to plug the Enamine Real Database - over 5.5 billion highly feasible compounds - into the new version of Pharmacelera’s virtual screening flagship tool PharmScreen®. The resulting joint solution will allow the accurate screening of the ultra-large chemical library, providing its users not only with access to the physical compounds for testing from Enamine but also with new Intellectual Property (IP) for their targets of interest.

“Pharmacelera offers an original, scientifically sound, and meaningful way of reading and interpreting the molecules, with excellent further applicability for virtual screening in Drug Discovery programs. We are happy to partner with Pharmacelera, to enable a more straightforward connection of PharmScreen® to the real test compounds”, said Michael Bossert, Head of Strategic Alliances at Enamine.

“This agreement is extremely aligned with Pharmacelera’s strategy to work with leading institutions in the fields of Drug Discovery that have complementary technology and expertise”, says Rémy Hoffmann, Chief Business Development Officer at Pharmacelera. “We are thrilled to start this collaboration with Enamine, the prominent compound provider, as it will allow us to apply our accurate Quantum-Mechanics (QM) and Machine Learning (ML) algorithms to mine the Enamine’s REAL Database”, said Enric Gibert, Pharmacelera’s CEO.