AI 'nose' predicts smells from molecular structures

In a major breakthrough, scientists have built a tool to predict the odor profile of a molecule, just based on its structure. It can identify molecules that look different but smell the same, as well as molecules that look ...

Exploring the molecular secrets of medicinal cannabis

Chronic pain, nausea or vomiting due to chemotherapy. If you suffer from such ailments, medicinal cannabis can be a godsend. Though a downside is that it can make patients high. Therefore, Leiden researchers from the Oncode ...

Investigating better biotransformations

Research in the International Journal of Bioinformatics Research and Applications has investigated the chemistry and behavior of a useful natural product made by the Madagascar periwinkle (Catharanthus roseus Bunge). The ...

Using 'counterfactuals' to verify predictions of drug safety

Scientists rely increasingly on models trained with machine learning to provide solutions to complex problems. But how do we know the solutions are trustworthy when the complex algorithms the models use are not easily interrogated ...

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