By Nicola Scafuri and Ana Caballero A larger number of ligands in the virtual screening library increases the chances of identifying ligands
By Carlos Cruz and Ana Caballero The success of a ligand-based virtual screening campaign relies on their molecular descriptors, in this sense,
By Tiziana Ginex and Fernando Martin The ever-increasing accessible chemical space opens the door to the search for new chemical matter for
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
