How can we screen 31 billion compounds? Divide and conquer!
Commercial chemical libraries have witnessed remarkable growth in recent years, resulting in an unprecedented increase in size and diversity. With advancements in
Commercial chemical libraries have witnessed remarkable growth in recent years, resulting in an unprecedented increase in size and diversity. With advancements in
3D quantum-mechanics, molecular descriptors, and artificial intelligence provide unique capabilities in the chemical space to identify and qualify novel hits PALO ALTO,
Sometimes, the solution space in search and optimization problems cannot be expressed as a tree / graph of options (see previous AI
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
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
The Universitat Autònoma de Barcelona (UAB) and Pharmacelera have reached an agreement to perform a research project in the area of Parkinson
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