Science
Artificial Intelligence is NOT Machine Learning
By Enric Gibert – Feb. 24, 2022 Although the concepts of Artificial Intelligence (AI) and Machine Learning (ML) are used interchangeably, they
February 24, 2022
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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
We are happy to announce that PharmScreen, our virtual screening tool is available for Knime. Knime is a free open-source platform that
The Severe Acute Respiratory Syndrome coronavirus 2 (SARS-CoV-2) or COVID-19 has spread to all countries without exception, affecting not only risk-population but
2019 was an exciting year for Pharmacelera and we look forward to 2020 with energy and commitment. Stay tuned for updates in
By Javier Vazquez – Dec. 11, 2019 Virtual Screening (VS) is a core in-silico technology in medicinal and computational chemistry. Several tools