2 Dokumente gefunden

An algorithm to classify homologous series within compound datasets

Homologous series are groups of related compounds that share the same core structure attached to a motif that repeats to different degrees. Compounds forming homologous series are of interest in multiple domains, including natural products, environmental chemistry, and drug design. However, many homologous…
London: BioMed Central, 2022-12-13

Cheminformatics and computational approaches for identifying and managing unknown chemicals in the environment

In most societies, using chemical products has become a part of daily life. Worldwide, over 350,000 chemicals have been registered for use in e.g., daily household consumption, industrial processes, agriculture, etc. However, despite the benefits chemicals may bring to society, their usage, production,…