The structural diversity of chemical libraries, which are systematic collections of compounds that have potential to bind to biomolecules, can be represented by chemical latent space. A chemical ...

Traditional structure-based pre-screen compound selection relies on the assumption that chemical similarity implies similar biological activity. This paradigm narrows the exploration of chemical space ...

In a study published in the Journal of the American Chemical Society, researchers appear to have discovered a way to produce a true structure of the rare but naturally-occurring anti-HIV compound ...

Honghui Hu of Wanhuida Intellectual Property considers the impact of the structure-activity relationship on the inventiveness assessment of pharmaceutical compounds Bayer Intellectual Property GmbH ...

“Reactive Noble-Gas Compounds Explored by 3D Electron Diffraction: XeF 2 −MnF 4 Adducts and a Facile Sample Handling Procedure” Since Bartlett’s discovery, which is commemorated with an International ...

Having control over how a dish is cooked is always a good idea. Taking a hint from the kitchen, scientists appear to have discovered a way to produce a true structure of the rare but ...

Superconductivity is the disappearance of electrical resistance in certain materials below a certain temperature, known as "transition temperature." The phenomenon has tremendous implications for ...

Organic chemistry features a wide array of reactions for creating complex molecules, among which the Diels–Alder reaction stands out for its versatility and precision. This reaction enables the ...

In drug discovery, virtual screening is a fast and cost-effective way of narrowing down vast chemical libraries to identify the most promising hits, reducing synthesis and testing requirements while ...

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 ...