Hydrophobicity versus electrophilicity: A new protocol toward quantitative structure-toxicity relationship.

Animals Benzene / chemistry Cyprinidae Electricity Hydrophobic and Hydrophilic Interactions Quantitative Structure-Activity Relationship
MLR QSTR fathead minnow global electronic descriptor multilayer perceptron (MLP) neural network

Journal

Chemical biology & drug design
ISSN: 1747-0285
Titre abrégé: Chem Biol Drug Des
Pays: England
ID NLM: 101262549

Informations de publication

Date de publication:
06 2019
Historique:
received: 20 08 2018
revised: 08 10 2018
accepted: 18 10 2018
pubmed: 1 1 2019
medline: 6 5 2020
entrez: 1 1 2019
Statut: ppublish

Résumé

QSAR/QSPR/QSTR modeling and chemical grouping approach are presented to provide information on the biological properties of various substituted benzene derivatives. A novel descriptor, viz., the square of electrophilicity index (ω

Identifiants

DOI: 10.1111/cbdd.13428 PMID: 30597757
pubmed: 30597757
doi: 10.1111/cbdd.13428
doi:

Substances chimiques

Benzene J64922108F

Types de publication

Journal Article Research Support, Non-U.S. Gov't

Langues

eng

Sous-ensembles de citation

IM

Pagination

1083-1095

Informations de copyright

© 2018 John Wiley & Sons A/S.

Auteurs

Ranita Pal (R)

Department of Chemistry and Center for Theoretical Studies, Indian Institute of Technology Kharagpur, Kharagpur, India.

Gourhari Jana (G)

Department of Chemistry and Center for Theoretical Studies, Indian Institute of Technology Kharagpur, Kharagpur, India.

Shamik Sural (S)

Department of Computer Science and Engineering, Indian Institute of Technology Kharagpur, Kharagpur, India.

Pratim Kumar Chattaraj (PK)

Department of Chemistry and Center for Theoretical Studies, Indian Institute of Technology Kharagpur, Kharagpur, India.
Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai, India.
ORCID: 0000-0002-5650-7666

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Classifications MeSH

questionsmedicales.fr › Eucaryotes › Animaux › Hydrophobicity versus electrophilicity: A new...
questionsmedicales.fr › Composés chimiques organiques › Hydrocarbures › Hydrocarbures cycliques › Hydrocarbures aromatiques › Dérivés du benzène › Benzène › Hydrophobicity versus electrophilicity: A new...
questionsmedicales.fr › Eucaryotes › Animaux › Chordés › Vertébrés › Poissons › Cypriniformes › Cyprinidae › Hydrophobicity versus electrophilicity: A new...
questionsmedicales.fr › Phénomènes physiques › Phénomènes magnétiques › Phénomènes électromagnétiques › Électricité › Hydrophobicity versus electrophilicity: A new...
questionsmedicales.fr › Phénomènes chimiques › Interactions hydrophobes et hydrophiles › Hydrophobicity versus electrophilicity: A new...
questionsmedicales.fr › Phénomènes physiologiques › Phénomènes pharmacologiques et toxicologiques › Phénomènes pharmacologiques › Relation structure-activité › Relation quantitative structure-activité › Hydrophobicity versus electrophilicity: A new...