High-level ab initio quantum chemical (QC) molecular potential energy surfaces (PESs) are crucial for accurately simulating molecular rotation-vibration spectra. Machine learning (ML) can help ...

Combining the world's largest chemistry database, Reaxys from Elsevier, with cutting-edge AI from Iktos, the advanced platform will enable pharmaceutical companies to identify preclinical drug ...

Publishing giant will host data on Reaxys but researchers have concerns about independently validating the method ...

The Chemical Safety Library, a database created for chemists to share information about hazardous reactions, will be moving to CAS, a division of the American Chemical Society (ACS publishes C&EN.) ...

LONDON, July 31, 2025 /PRNewswire/ -- Elsevier, a global leader in advanced information and decision support in science and healthcare, introduces Reaxys AI Search, an innovative addition to the ...

The National Institute of Standards and Technology (NIST) has updated its database of chemical fingerprints, called mass spectra, that are used to identify unknown chemical compounds. The NIST Mass ...

Please provide your email address to receive an email when new articles are posted on . The Chemical Contaminants Transparency Tool provides a consolidated list of contaminant names, plus action and ...

Developing new medicines can require thousands of chemistry experiments to identify the right recipe for a safe, effective and ideally affordable drug. The process is slow and labor-intensive, and ...

Washington — A new database from OSHA offers access to safety profiles and information on workplace chemicals. Pooling data from various government agencies and organizations, the OSHA Occupational ...

In October, London-based Independent Commodity and Intelligence Services (ICIS) launched the Recycling Supply Tracker - Chemical. The company says the goal of the global database is to provide a ...