Designing molecules is one of chemistry's most complex challenges. From life-saving drugs to advanced materials, each ...

Synthetic route design remains a critical bottleneck in small‑molecule drug discovery, especially as teams juggle complex targets, aggressive timelines, and sustainability expectations.

Retrosynthesis aims to predict a set of reactants for producing given molecules, which plays a significant part in the biochemistry field, such as molecular pathway design and drug discovery. Most ...

Researchers at EPFL have developed Synthegy, a framework that uses large language models to guide retrosynthesis and reaction mechanism planning in chemistry. By interpreting chemists’ ...

Researchers have introduced three separate AI-driven tools for chemistry: a natural language-guided retrosynthesis system, a generative antibiotic design model, and a paired protein interaction ...

PARIS--(BUSINESS WIRE)--Iktos, a company specialized in Artificial Intelligence for new drug design and UCB, a global biopharma company focusing on neurology and immunology, today announced a software ...

Chemical engineers have trained a neural network model to plan synthetic routes to any target molecule, optimizing user-specified objectives such as cost, time, and sustainability. Researchers, from ...

The new capability combines the industry-leading CAS Content Collection TM with cutting-edge technology and enables scientists to innovate with confidence Columbus, Ohio, October 29, 2024-- CAS, a ...

Advancements in the field of drug discovery and chemical development have necessitated the integration of computer-assisted technologies to expedite processes, uncover efficiencies, and foster ...