Ligand-based virtual screening is essential in modern drug discovery workflows and PharmScreen® has been shown to find novel molecules through its unique
3D quantum-mechanics, molecular descriptors, and artificial intelligence provide unique capabilities in the chemical space to identify and qualify novel hits PALO ALTO,
An exponential growth of the accessible chemical space In the last years, there has been an exponential growth in commercial chemical libraries
Barcelona and Uppsala, March 2nd, 2023 – Pharmacelera, the leading provider of computational tools for hit discovery, and MODSIM Pharma AB, the
Barcelona, January 27th, 2023 – Pharmacelera, the leading provider of computational tools for hit discovery, and Welab, the leading drug discovery and
Barcelona, Spain, and Kyiv, Ukraine, 15 December 2022. Pharmacelera, the leading provider of computational tools for hit discovery, and Enamine, the developer
By Enric Gibert On May 30th 2022, the Top500 High-Performance Computing (HPC) list revealed the first exa-scale HPC system ever constructed: the
By Enric Gibert In one of my trips to Boston, I found a very good introduction to neural networks and deep learning.
By Giorgia Zaetta There are more than six hundred and seventy-five duodecillion possible chemical structures, but only a part of them, approximately
By Ricardo Garcia The intersection of quantum computation and chemistry Many problems in chemistry have to do with quantum nature of electrons.
PharmScreen 2022.06 has been released! This new version includes some new and cool features like: Library prefiltering based on molecular properties: now
Sometimes, the solution space in search and optimization problems cannot be expressed as a tree / graph of options (see previous AI
DyNAbind and Pharmacelera are happy to announce a joint scientific collaboration in the fields of DNA-Encoded Libraries (DEL) and Artificial Intelligence (AI)
As we explained in our previous post, Artificial Intelligence (AI) is more than Machine Learning (ML). Artificial Intelligence (AI) techniques include algorithms
By Enric Gibert – Feb. 24, 2022 Although the concepts of Artificial Intelligence (AI) and Machine Learning (ML) are used interchangeably, they
By Silvia Illa – Oct. 26, 2021 It’s been almost a year since DeepMind’s AlphaFold algorithm won the CASP14 (Critical Assessment of
