Plants are valuable resources for drug discovery as they produce diverse bioactive compounds. However, the chemical diversity makes it difficult to predict the biological activity of plant extracts ...
WASHINGTON, Aug. 20, 2025 — How do you identify something no one has a test for? Designer drugs replicate the effects of known, illicit drugs but evade law enforcement. The chemical structure ...
The automatic analysis of patent publications has potential to accelerate research across various domains, including drug discovery and material science. Within patent documents, crucial information ...
A research team has developed an artificial intelligence (AI) system that proposes suitable molecular structures from the raw data of spectroscopic measurements and assesses their plausibility. The ...
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 ...
Recently, SandboxAQ launched what it claims is the largest publicly available dataset of protein-ligand pairs with annotated experimental binding potency data. According to the company, the ...
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