OSCAR: an extensive repository of chemically and functionally diverse organocatalysts-Reference-Cited by-同舟云学术

OSCAR: an extensive repository of chemically and functionally diverse organocatalysts

Published:2022 Issue:46 Volume:13 Page:13782-13794
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Gallarati Simone¹^ORCID,van Gerwen Puck¹²,Laplaza Ruben¹²^ORCID,Vela Sergi¹^ORCID,Fabrizio Alberto¹³,Corminboeuf Clemence¹²³^ORCID

Affiliation:

1. Laboratory for Computational Molecular Design, Institute of Chemical Sciences and Engineering, Ecole Polytechnique Fédérale de Lausanne (EPFL), 1015 Lausanne, Switzerland

2. National Center for Competence in Research – Catalysis (NCCR-Catalysis), Ecole Polytechnique Fédérale de Lausanne (EPFL), 1015 Lausanne, Switzerland

3. National Center for Computational Design and Discovery of Novel Materials (MARVEL), Ecole Polytechnique Fédérale de Lausanne (EPFL), 1015 Lausanne, Switzerland

Abstract

A database of thousands of experimentally-derived or combinatorially enriched organocatalysts and fragments to navigate chemical space and optimize reaction properties.

Funder

H2020 European Research Council

Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

École Polytechnique Fédérale de Lausanne

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/SC/D2SC04251G

Reference155 articles.

1. The role of computational results databases in accelerating the discovery of catalysts