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12 results for QSAR.

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Keyword    QSAR

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Lipophilicity and QSAR Study of a Series of Makaluvamines by the Method of the Density Functional Theory: B3LYP/6-311++G(d,p)
by Sékou DIOMANDÉ and Soleymane KONÉ
Journal of Materials Physics and Chemistry. 2019, 7(1), 20-28. DOI: 10.12691/jmpc-7-1-3
Pub. Date: November 12, 2019Views: 17486Downloads: 18161
lipophilicity Makaluvamines QSAR molecular descriptors and anticancer activity
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Development of a Predictive Model of the Antidiabetic Activity of a Thiadiazole Molecule Series by Density Functional Theory Method
by Chiépi Nadège Dominique Dou, Mamadou Guy-Richard Koné, Georges Stéphane Dembélé, Doh Soro, Fandia Konaté and Nahossé Ziao
Journal of Materials Physics and Chemistry. 2022, 10(2), 49-58. DOI: 10.12691/jmpc-10-2-3
Pub. Date: October 16, 2022Views: 3690Downloads: 3972
QSAR RLM. RLNM Antidiabetic activity 134-thiadiazole derivatives
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Study by Quantum Chemical of Relationship between Electronic Structure and SecA Inhibitory Activity of a Series 5-cyano Thiouracil Derivatives
by Diomandé Sékou, Fanté Bamba, Bédé Affoué Lucie, Kanhounnon Gbèdodé Wilfried, Kpotin Assongba Gaston and Bamba El-Hadji Sawaliho
Journal of Materials Physics and Chemistry. 2022, 10(2), 43-48. DOI: 10.12691/jmpc-10-2-2
Pub. Date: September 27, 2022Views: 3298Downloads: 3542
5-cyano thiouracil QSAR antibacterial activity DFT/B3LYP
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QSAR Study of 2-benzylthiopyrimidine Derivatives with Antibacterial Activity on Staphylococcus Aureus
by Amon Benjamine ASSOMA, Siomenan COULIBALI, Tchambaga Etienne CAMARA, Patrick-Armand ACHI and Ane ADJOU
Journal of Materials Physics and Chemistry. 2022, 10(2), 36-42. DOI: 10.12691/jmpc-10-2-1
Pub. Date: September 05, 2022Views: 3353Downloads: 3521
partition coefficient molar volume QSAR antibacterial activity
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Predictive Modeling of Toxoplasma Gondii Activity of a Series of Substituted Imidazole-Thiosemicarbazides Using Quantum Descriptors
by Sopi Thomas Affi, Bafétigué Ouattara, Georges Stéphane Dembélé, Mamadou Guy-Richard Koné and Nahossé Ziao
Physics and Materials Chemistry. 2021, 7(1), 1-13. DOI: 10.12691/pmc-7-1-1
Pub. Date: December 12, 2021Views: 7429Downloads: 9587
QSAR RNA Energy gap (ΔE) Toxoplasma gondii activity
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Identification of Potential C-kit Protein Kinase Inhibitors Associated with Human Liver Cancer: Atom-based 3D-QSAR Modeling, Pharmacophores-based Virtual Screening and Molecular Docking Studies
by Koffi Alexis Respect Kouassi, Adenidji Ganiyou, Anoubilé Benié, Mamadou Guy-Richard Koné, N’Guessan kouakou Nobel, Kouadio Valery Bohoussou and Wacothon Karime Coulibaly
American Journal of Pharmacological Sciences. 2021, 9(1), 1-29. DOI: 10.12691/ajps-9-1-1
Pub. Date: February 05, 2021Views: 6630Downloads: 8368
Rhodanine derivatives 3D-QSAR Pharmacophore Molecular Docking ADMET
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Cytotoxicity, 2D- and 3D- QSAR Study of some Halogen Containing Hydroxy and Amino Substituted Aromatic Compounds
by M. Idrish Ali and M. Abul Kashem Liton
World Journal of Organic Chemistry. 2015, 3(1), 16-25. DOI: 10.12691/wjoc-3-1-4
Pub. Date: January 16, 2016Views: 32479Downloads: 31169
QSAR LOO MLR PCR PLSR and MIFs
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Predictive Modeling of the Anti-Paludial Activity of a Series of Dihydrothiophenone Molecules at the Hartree-Fock (HF) / 6-31G (d, p) Level
by Fandia Konate, Fatogoma Diarrrassouba, Georges Stéphane Dembele, Mamadou Guy-Richard Koné, Bibata Konaté, Nanou Tiéba Tuo and Nahossé Ziao
Journal of Materials Physics and Chemistry. 2021, 9(2), 56-62. DOI: 10.12691/jmpc-9-2-3
Pub. Date: September 28, 2021Views: 4015Downloads: 5016
antimalarial activity quantum chemistry Dihydrothiophenone QSAR MLR
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QSAR Study of a Serie of Benzimidazolylchalcone Derivatives by the Density Fonctional Theory (DFT) Method
by Doumadé ZON, Jean Stéphane N’DRI, Adéyolé TIMOTOU, Ahmont Landry Claude KABLAN, Mamadou Guy-Richard KONÉ, Mahama OUATTARA and Drissa SISSOUMA
Journal of Materials Physics and Chemistry. 2021, 9(1), 9-15. DOI: 10.12691/jmpc-9-1-2
Pub. Date: April 24, 2021Views: 4603Downloads: 5960
benzimidazolylchalcone Quantum chemistry QSAR Quantum Descriptors Anthelminthical activity
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QSAR Studies of the Antifungal Activities of α-Diaminophosphonates Derived from Dapsone by DFT Method
by Jean Stéphane N’dri, Ahmont Landry Claude Kablan, Bafétigué Ouattara, Mamadou Guy-Richard Koné, Lamoussa Ouattara, Charles Guillaume Kodjo and Nahossé Ziao
Journal of Materials Physics and Chemistry. 2019, 7(1), 1-7. DOI: 10.12691/jmpc-7-1-1
Pub. Date: January 22, 2019Views: 14388Downloads: 14174
antifungal activities α-diaminophosphonates QSAR quantum descriptors DFT method
Abstract Full Text PDF (468 KB) Full Text HTML Full Text ePUB (366 KB)
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