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Subject: QSAR Modeling Language: Inglés Repository: 37 Document Type: Artículo

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Title: Structurally modified celecoxib analogues for selective COX-2 inhibition: a classical hansch QSAR approach
Author: Manivannan, E. / Moorthy, N.S.H.N.
Language: Inglés
Repository: 37
Subject: Farmacia / Relación Estructura-Actividad Cuantitativa / Ciclooxigenasa 1 / Ciclooxigenasa 2 / COX-1 / COX-2 / QSAR / Selectivity

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Title: Modeling PPARα activation of Benzoxazole-Phenoxyalkyl-Phenoxybutyric acids using diverse descriptors
Author: Chen, Mei-mei / Lai, Xin-mei / Yang, Xue-mei
Language: Inglés
Repository: 37
Subject: Farmacia / Descriptores / Relación Estructura-Actividad Cuantitativa / Benzoxazole-phenoxyalkyl-phenoxybutyric acids / PPARα / QSAR

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Title: Peroxynitrite-Induced Apoptosis in FaDu Cells is Correlated with the Up-Regulation of PDCD4 Gene
Author: Liu, Wenwen / Bai, Xiaohui / Wang, Haibo / Li, Jianfeng / Song, Shasha / He, Mingqiang / Zhang, Guodong / Li, Lin / Yue, Zhiyong
Language: Inglés
Repository: 37
Subject: Farmacia / Farmacología / Agentes Antibacterianos / Agentes Antiinfecciosos / Antibacterial activity / Carboxamide / Oxazolopyrimidine / QSAR / Thiazolopyrimidine

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Title: Identification of cisapride as new inhibitor of putrescine uptake in Trypanosoma cruzi by combined ligand- and structure-based virtual screening
Author: Dietrich, Roque Carlos / Alberca, Lucas Nicolás / Ruiz, María Daniela / Palestro, Pablo Hernán / Carrillo, Carolina / Talevi, Alan / Gavernet, Luciana
Language: Inglés
Repository: 37
Subject: Química / Chagas disease / Cisapride / Docking / Drug repositioning / QSAR / TcPAT12 / TcPOT1.1.

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Title: Synthesis and QSAR analysis of oxazolo/thiazolo pyrimidine derivatives as potential antibacterial agents
Author: Sawant, Ramesh L. / Bansode, Charusheel / Wadekar, Jyoti B.
Language: Inglés
Repository: 37
Subject: Farmacia / antibacterial activity / carboxamide / oxazolopyrimidine / QSAR / thiazolopyrimidine

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Title: Structure-toxicity relationships for aliphatic compounds based on Correlation Weighting of Local Graph Invariants
Author: Toropov, Andrey A. / Duchowicz, Pablo Román / Castro, Eduardo A.
Language: Inglés
Repository: 37
Subject: Ciencias Exactas / 50% population growth inhibition / aliphatic compound / haloalcohol / Correlation Weights of Local Graph Invariants / labeled hydrogen-filled graphs / Photobacterium / Vibrio fischeri / Quantitative Structure-Activity Relationships / QSAR

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Title: Upgrading the Wiener index
Author: Castro, Eduardo Alberto / Gutman, Ivan / Marino, Damián José Gabriel / Peruzzo, Pablo José
Language: Inglés
Repository: 37
Subject: Ciencias Exactas / Química / chemical bond / 3D-structure descriptors / correlation analysis / chemical graph theory / QSAR / geometry / QSPR / mathematical model / topological index / Wiener index

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