Results 21 to 30 of about 59,986 (298)
Characterization of recommended banana cultivars using morphological and molecular descriptors [PDF]
Crop Breeding and Applied Biotechnology, 2009 New banana varieties with superior agronomical characteristics have been developed through introductionand/or genetic breeding. In order to guarantee its marketing and intellectual property, these new varieties need to becharacterized by efficient ...
Onildo Nunes de Jesus +5 more
doaj +2 more sources
Morphoagronomic and molecular characterization of ornamental passion fruit cultivars [PDF]
Pesquisa Agropecuária Brasileira, 2017 : The objective of this work was to validate the morphoagronomic descriptors used in the protection processes of plant cultivars in Brazil, by characterizing six cultivars of ornamental passion fruit.
Kenia Gracielle da Fonseca +4 more
doaj +2 more sources
SOMAS: a platform for data-driven material discovery in redox flow battery development
Scientific Data, 2022 Measurement(s) quantum descriptors • molecular descriptors • physical descriptors Technology Type(s) Computation ...
Peiyuan Gao +7 more
doaj +1 more source
M-Polynomial and NM-Polynomial of Used Drugs against Monkeypox
Journal of Mathematics, 2022 Monkeypox has recently re-emerged. Since monkeypox has started to be seen in many countries without an epidemic, studies have started on new drugs used to treat this disease. Drug discovery is a challenging process.
Özge Çolakoğlu +2 more
doaj +1 more source
, 2021 The research assesses the capability of machine learning in predicting maximum emission wavelength of organic compounds. The predictions are based on structure descriptors and fingerprints widely applied in cheminformatics.
Bartłomiej Fliszkiewicz (10714782)
core +2 more sources
GUIDEMOL: a Python graphical user interface for molecular descriptors based on RDKit
, 2023 GUIDEMOL is a Python computer program based on the RDKit software to process molecular structures and calculate molecular descriptors with a graphical user interface using the tkinter package.
Joao, Aires-de-Sousa
core +1 more source
A new set of molecular descriptors [PDF]
Acta Crystallographica Section B Structural Science, 2002 A new set of criteria for quantitative analysis of molecular interactions is proposed, which is based on the conceptions of atomic and molecular Voronoi–Dirichlet polyhedra. It is shown that the calculation of solid angles of ligands and complexes as a whole allows one to estimate screening effects and the probability of forming intra- and intercomplex
O A, Blatova +2 more
openaire +2 more sources
Prediction of spin–spin coupling constants with machine learning in NMR
Analytical Science Advances, 2021 Nuclear magnetic resonance (NMR) spectroscopy is one of the most important methods for analyzing the molecular structures of compounds. The objective in this study is to predict indirect spin–spin coupling constants in NMR based on machine learning.
Kaina Shibata, Hiromasa Kaneko
doaj +1 more source
, 2023 Molecular descriptors are essential tools for analyzing compounds in drug discovery, but descriptors have a drawback - it is difficult to reconstruct the original compound using only descriptor data.
Chiaki, Nakamori, Tore, Eriksson
core +1 more source
Heliyon, 2021 To be able to predict reversed phase liquid chromatographic (RPLC) retention times of contaminants is an asset in order to solve food contamination issues.
Julien Parinet
doaj +1 more source