CatDRX is a generative AI framework developed at Institute of Science Tokyo, which enables the design of new chemical ...

Researchers developed a way to quickly calculate the transition state structure of a chemical reaction, using machine-learning models. During a chemical reaction, molecules gain energy until they ...

Immobilizing small synthetic molecules inside protein crystals proves to be a promising avenue for studying intermediate compounds formed during chemical reactions, scientists report. By integrating ...

A new model rectifies the long-standing deficiencies of the electronegativity concept.

In a recent study under review at the Scientific Reports journal and currently posted to the Research Square* preprint server, researchers synthesized and evaluated the antitumoral (against several ...

A slide and compound drilling model calculates build-up rate (BUR) of a single bent-angle motor assembly using a physical model and genetic-algorithm back propagation (GA-BP) regression analysis. A ...

(Nanowerk News) During a chemical reaction, molecules gain energy until they reach what’s known as the transition state — a point of no return from which the reaction must proceed. This state is so ...