用化学描述符（chemical descriptors）来编码小分子的物理、化学和结构特性，是化学信息学的核心。生物活性数据的广泛发布提高了化合物的丰富度。然而，大部分小分子都没有对应的生物活性描述符（bioactivity descriptors）；这限制了该方法对众多已经被充分表征的 ...

Nitric oxide (NO) is a potent vasodilator that is produced in endothelial cells and has been assumed to act exclusively at its site of synthesis. New evidence suggests that red blood cells distribute ...

Bones are the hard organs that make up the endoskeleton of vertebrates, featuring a complex inner and outer structure that allows them to remain hard while reducing weight. Their functions include ...

A newly developed tool predicts the biological activity of chemical compounds, key information to evaluate their therapeutic potential. Using artificial neural networks, scientists have inferred ...

Herbal medicines have been an integral part of traditional healthcare systems worldwide, dating back thousands of years. These natural remedies, rooted in cultural traditions, are now experiencing a ...

The Structural Bioinformatics and Network Biology laboratory, led by ICREA Researcher Dr. Patrick Aloy, has completed the bioactivity information for a million molecules using deep machine-learning ...

Chondroitin sulfates are known to play a role in cell division, neuronal development, and spinal cord injury. The nature and mechanism of these effects have been controversial and difficult to study, ...

Where do the well-known cannabis compounds THC, CBD and CBC come from? Researchers at Wageningen University & Research have experimentally demonstrated for the first time how cannabis acquired the ...