An open source computational workflow for the discovery of autocatalytic networks in abiotic reactions-Reference-Cited by-同舟云学术

An open source computational workflow for the discovery of autocatalytic networks in abiotic reactions

Published:2022 Issue:17 Volume:13 Page:4838-4853
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Arya Aayush¹²^ORCID,Ray Jessica²,Sharma Siddhant²³^ORCID,Cruz Simbron Romulo²⁴⁵^ORCID,Lozano Alejandro²⁶,Smith Harrison B.⁷^ORCID,Andersen Jakob Lykke⁸,Chen Huan⁹^ORCID,Meringer Markus¹⁰^ORCID,Cleaves Henderson James²⁷^ORCID

Affiliation:

1. Department of Physics, Lovely Professional University, Jalandhar Delhi-GT Road, Phagwara, Punjab 144411, India

2. Blue Marble Space Institute of Science, Seattle, Washington 98104, USA

3. Department of Biochemistry, Deshbandhu College, University of Delhi, New Delhi 110019, India

4. Laboratorio de Investigación Fisicoquímica (LABINFIS), Universidad Nacional de Ingeniería, Av. Túpac Amaru 210, Lima, Peru

5. Centro de Tecnologías de la Información y Comunicaciones (CTIC UNI), Universidad Nacional de Ingenieria, Av. Túpac Amaru 210, Lima, Peru

6. Unidad Profesional Interdisciplinaria de Biotecnología – Instituto Politécnico Nacional, 550 Av. Acueducto, 07340 Mexico City, Mexico

7. Earth-Life Science Institute, Tokyo Institute of Technology, Tokyo, Japan

8. Department of Mathematics and Computer Science, University of Southern Denmark, Campusvej 55, 5230 Odense M, Denmark

9. National High Magnetic Field Laboratory, Tallahassee, Florida 32310, USA

10. German Aerospace Center (DLR), 82234 Oberpfaffenhofen, Wessling, Germany

Abstract

We present an open-source chemoinformatic workflow to generate and analyze complex abiological chemical networks to discover novel compounds and autocatalytic processes. We demonstrate this pipeline's capabilities against a well-studied model system.

Funder

John Templeton Foundation

Novo Nordisk Fonden

Det Frie Forskningsråd

National Science Foundation

Fondo Nacional de Desarrollo Científico, Tecnológico y de Innovación Tecnológica

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/SC/D2SC00256F

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