Computer-Assisted Design of Sustainable Syntheses of Pharmaceuticals and Agrochemicals from Industrial Wastes.
ChemSusChem
; 15(19): e202201125, 2022 Oct 10.
Article
en En
| MEDLINE
| ID: mdl-35894947
ABSTRACT
Computer-based strategies vastly enhanced the field of analytical chemistry. The impact of data-driven technologies in shaping organic chemistry strategies long remained comparatively elusive but various tools recently emerged to computationally plan multistep organic syntheses. A recent study elegantly takes benefit of an in-house library of chemical reactions enriched with various metadata to provide numerous, reliable and realistic organic chemistry workflows to structurally-varied drugs of interest, from locally available industrial by-products. The retrieval of the different synthetic pathways and a scoring based on different features, especially comprising sustainability considerations, are also proposed.
Palabras clave
Texto completo:
1
Colección:
01-internacional
Base de datos:
MEDLINE
Asunto principal:
Agroquímicos
/
Residuos Industriales
Idioma:
En
Revista:
ChemSusChem
Asunto de la revista:
QUIMICA
/
TOXICOLOGIA
Año:
2022
Tipo del documento:
Article
País de afiliación:
Francia