CatDRX is a generative AI framework developed at Institute of Science Tokyo, which enables the design of new chemical catalysts based on the specific chemical reactions in which they are used. The ...

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 ...

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

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 ...

Carbon, with its myriad compounds, is the backbone of life and the central element of organic chemistry. The number of bonds a carbon atom forms with other elements in a compound determines its ...

(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 ...