Is Organic Chemistry Really Growing Exponentially?

Autor:	Bartosz A. Grzybowski, Tomasz Badowski, Sara Szymkuć
Rok vydání:	2021
Předmět:	Sublinear function Computer science Context (language use) General Medicine General Chemistry Function (mathematics) Chemical reaction Catalysis chemistry.chemical_compound Template Exponential growth chemistry Cheminformatics Organic chemistry Organic synthesis
Zdroj:	Angewandte Chemie International Edition. 60:26226-26232
ISSN:	1521-3773 1433-7851
DOI:	10.1002/anie.202111540
Popis:	In terms of molecules and specific reaction examples, organic chemistry features an impressive, exponential growth. However, new reaction classes/types that fuel this growth are being discovered at a much slower and only linear (or even sublinear) rate. The proportion of newly discovered reaction types to all reactions being performed keeps decreasing, suggesting that synthetic chemistry becomes more reliant on reusing the well-known methods. The newly discovered chemistries are more complex than decades ago and allow for the rapid construction of complex scaffolds in fewer numbers of steps. We study these and other trends in the function of time, reaction-type popularity and complexity based on the algorithm that extracts generalized reaction class templates. These analyses are useful in the context of computer-assisted synthesis, machine learning (to estimate the numbers of models with sufficient reaction statistics), and identifying erroneous entries in reaction databases.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::03b934d9f408da3232f41c67e84bd133 https://doi.org/10.1002/anie.202111540 Zobrazit plný text záznamu Plný text