Retrosynthesis analysis is an important task in organic chemistry with numerous industrial applications. Previously, machine learning approaches employing natural language processing techniques ...

Abstract: Predicting reactants from a specified core product remains a critical challenge in retrosynthesis prediction. While semi-template-based and graph-edit-based methods have shown promising ...

I've successfully been able to install and operate chemformer from the GH repo using the scripts in the provided example_scripts directory (e.g., predict.sh), but I'm unable to find documentation ...

Imagine this: you’re in the middle of an important project, juggling deadlines, and collaborating with a team scattered across time zones. Suddenly, your computer crashes, and hours of work vanish in ...

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

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

Antonia Haynes is a Game Rant writer who resides in a small seaside town in England where she has lived her whole life. Beginning her video game writing career in 2014, and having an avid love of ...

Medicinal Chemistry and Bioinformatics Center, Shanghai Jiao Tong University School of Medicine, Shanghai 200025, China State Key Laboratory of Medical Genomics, National Research Center for ...

A full room of conference attendees and members of the ACS Board of Directors gathered for Sunday’s open board meeting in Denver to hear CAS’s assistant director of strategy, Andrea Jacobs, talk about ...