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 ...
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 ...
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 ...
Researchers develop an AI-based platform that integrates reaction data with catalyst performance for the design of new ...
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