Persistency of chemicals in the environment is seen a pressing issue as it results in
accumulation of chemicals over time. Persistent chemicals can be an asset in a well …

The generation of constitutional isomer chemical spaces has been a subject of
cheminformatics since the early 1960s, with applications in structure elucidation and …

Background Network generation tools coupled with chemical reaction rules have been
mainly developed for synthesis planning and more recently for metabolic engineering. Using …

Chemical graph generators are software packages to generate computer representations of
chemical structures adhering to certain boundary conditions. Their development is a …

Metabolomics data analysis includes several repetitive tasks, including data sorting,
calculation of exact masses or other physicochemical properties, or searching for identifiers …

Metabolite structure identification remains a significant challenge in nontargeted
metabolomics research. One commonly used strategy relies on searching biochemical …

Exhaustive generation of molecular structures has numerous chemical and biochemical
applications such as drug design, molecular database construction, exploration of …

A main challenge in the enumeration of small-molecule chemical spaces for drug design is
to quickly and accurately differentiate between possible and impossible molecules. Current …

A main challenge in the enumeration small molecule chemical spaces for drug design is to
quickly and accurately di? erentiate between possible and impossible molecules. Current …

A main challenge in the enumeration small molecule chemical spaces for drug design is to
quickly and accurately differentiate between possible and impossible molecules. Current …