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9 results for 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: 23423Downloads: 25393
lipophilicity Makaluvamines QSAR molecular descriptors and anticancer activity
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Theoretical Study of the Toxicity of a Series of Amides Herbicides Using Quantitative Structure-activity Relationships
by DIOMANDE Sékou, DJABAN Akoua Déborah, KONATE Mory Latif and KONE Soleymane
Journal of Materials Physics and Chemistry. 2026, 14(1), 1-10. DOI: 10.12691/jmpc-14-1-1
Pub. Date: May 07, 2026Views: 560Downloads: 2115
Amide herbicide Lethal dose QSAR DFT
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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: 6308Downloads: 7516
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: 6164Downloads: 7015
partition coefficient molar volume QSAR antibacterial activity
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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: 40472Downloads: 39792
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: 6644Downloads: 8863
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: 7506Downloads: 9883
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: 17982Downloads: 18728
antifungal activities α-diaminophosphonates QSAR quantum descriptors DFT method
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Designing of Novel 6(H)-1,3,4-Thiadiazine Derivatives as MMP12 Inhibitors: A MLR and Docking Approach
by Ajeet ., Laxmi Tripathi and Praveen Kumar
American Journal of Pharmacological Sciences. 2013, 1(2), 29-34. DOI: 10.12691/ajps-1-2-3
Pub. Date: April 10, 2013Views: 42120Downloads: 37771Citations: 4
6(H)-134-thiadiazine analogues QSAR MLR docking MMP12 inhibitors
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