Pharmacelera is pleased to announce a collaboration with Iktos in Artificial Intelligence supported Drug Discovery

Iktoswill apply Pharmacelera’s accurate Quantum-Mechanics (QM) hydrophobic molecular 3D descriptors via the software package PharmQSAR to develop Machine Learning (ML) predictors for key molecular properties in de-novo drug discovery.

“Pharmacelera offers an original, scientifically sound, and meaningful way of describing molecules, with excellent further applicability for Machine Learning and Artificial Intelligence driven Drug Discovery programs”, says Stéphanie Labouille, Senior Scientist and Computational Chemist at Iktos. “We are happy to collaborate with Pharmacelera, as both companies are dynamic and innovative in the frontier of advanced computational methods, chemistry, and biology”, adds Yann Gaston-Mathé Iktos’s CEO.

“This agreement is extremely aligned with Pharmacelera’s strategy to work with leading institutions in the fields of Drug Discovery and Artificial Intelligence”, says Oscar Rey, Head of Business Development at Pharmacelera. “We are thrilled by this collaboration, as challenging the status-quo is a value that Iktos and Pharmacelera share”, says Enric Gibert, Pharmacelera’s CEO.

Iktos develops disruptive Artificial Intelligence technologies for de-novo drug design, focusing on multi parametric optimization (MPO). The company’s algorithms are based on state-of-the-art generative models and Iktos’s own internal research effort.  These deep learning models enable the design of novel, druggable and synthesizable molecules under the constraint of a given blueprint, with unprecedented speed and performance. Iktos, private company based in Paris, France, was founded in 2016 and has since established collaborations with major players in the pharmaceutical industry.

Pharmacelera develops advanced computational tools for the discovery of novel hits using accurate Quantum-Mechanics (QM), Artificial Intelligence (AI) and High-Performance Computing (HPC). The company’s products PharmScreen and PharmQSAR use 3D molecular descriptors derived from Quantum-Mechanics (QM) calculations to mine an unexplored chemical space and to identify hits uncovered by traditional algorithms. Pharmacelera is a private company founded in 2015 and based in Barcelona, Spain. The company works with several big pharma and biotech organizations across Europe and the United States.