New release of PharmScreen (2022.06)
PharmScreen 2022.06 has been released! This new version includes some new and cool features like: Library prefiltering based on molecular properties: now
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
Istituto Italiano di Tecnologia (IIT) and Pharmacelera announce that they will collaborate in the field of drug discovery. In particular, the Ligand-based
The summer season has already started and, we would like to share with you what happened in Pharmacelera during the first half
By Alessandro Deplano – Jan. 9, 2021 Preselecting the final compound after a virtual HTS campaign is not an easy task. Once
By Giorgia Zaetta – May. 19, 2021 G protein-coupled receptors (GPCRs), also known as heptahelical or 7-transmembrane receptors, are the largest family
Iktoswill apply Pharmacelera’s accurate Quantum-Mechanics (QM) hydrophobic molecular 3D descriptors via the software package PharmQSAR to develop Machine Learning (ML) predictors for
By Giorgia Zaetta – March. 9, 2021 The challenges of CNS Drug Discovery In the last decades, few clinically active drugs for brain disorders were identified, and many research projects have been abandoned because of drawbacks in the drug
By Enric Gibert – Jan. 11, 2021 No doubt that 2020 was a challenging year. We sincerely hope you, your colleagues, and
By Giorgia Zaetta – Dec. 11, 2020 Lipophilicity is the property of a molecule that describes its distribution between water and octanol,
By Melanie Berg – Nov. 30, 2020 Pharmacelera is proud to announce today, that an agreement was reached with Helmholtz Centre for
By Lluis Campos – Sep. 23, 2020 Molecular Docking is a key tool in Structure Based Drug Discovery (SBDD), as it aims
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