The universe is flooded with billions of chemicals, each a tiny pinprick of potential. And we’ve only identified 1% of them. Scientists believe undiscovered chemical compounds could help remove ...

Predicting assay results for compounds virtually using chemical structures and phenotypic profiles has the potential to reduce the time and resources of screens for drug discovery. Here, we evaluate ...

Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

Researchers at Indiana University and Wuhan University in China have unveiled a groundbreaking chemical process that could streamline the development of pharmaceutical compounds, chemical building ...

Chemists have created a highly reactive chemical compound that has eluded scientists for more than 120 years. The discovery could lead to new drug treatments, safer agricultural products, and better ...

Using these data, they created predictive models based on the bioactivity information of each molecule in the cells, which proved to be much more accurate than methods based solely on chemical ...

Traditionally, chemists have relied on well-established but limiting methods to synthesize these molecules. This new research presents a fundamentally different approach. Tetrahydroisoquinolines serve ...