DP4+App: Finding the Best Balance between Computational Cost and Predictive Capacity in the Structure Elucidation Process by DP4+. Factors Analysis and Automation-Reference-Cited by-同舟云学术

DP4+App: Finding the Best Balance between Computational Cost and Predictive Capacity in the Structure Elucidation Process by DP4+. Factors Analysis and Automation

Published:2023-09-18 Issue:10 Volume:86 Page:2360-2367
ISSN:0163-3864
Container-title:Journal of Natural Products
language:en
Short-container-title:J. Nat. Prod.

Author:

Franco Bruno A.¹,Luciano Ezequiel R.¹,Sarotti Ariel M.²^ORCID,Zanardi María M.¹^ORCID

Affiliation:

1. Instituto de Investigaciones en Ingeniería Ambiental, Química y Biotecnología Aplicada (INGEBIO), Facultad de Química e Ingeniería del Rosario, Pontificia Universidad Católica Argentina, Av. Pellegrini 3314, Rosario 2000, Argentina

2. Instituto de Química Rosario (CONICET), Facultad de Ciencias Bioquímicas y Farmacéuticas, Universidad Nacional de Rosario, Suipacha 531, Rosario 2000, Argentina

Funder

Consejo Nacional de Investigaciones Cient?ficas y T?cnicas

Agencia Nacional de Promoci?n Cient?fica y Tecnol?gica

Publisher

American Chemical Society (ACS)

Subject

Organic Chemistry,Complementary and alternative medicine,Drug Discovery,Pharmaceutical Science,Pharmacology,Molecular Medicine,Analytical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jnatprod.3c00566

Reference39 articles.

1. Misassigned natural products and their revised structures

2. Chasing Molecules That Were Never There: Misassigned Natural Products and the Role of Chemical Synthesis in Modern Structure Elucidation