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Subject: QSAR theory Language: Inglés

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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

AccederAcceder
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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Title: Application of Hansch’s Model to Capsaicinoids and Capsinoids: A Study Using the Quantitative Structure−Activity Relationship. A Novel Method for the Synthesis of Capsinoids
Author: Fernández Barbero, Gerardo / González Molinillo, José María / Valera Montoya, Rosa María / Palma Lovillo, Miguel / Macías Domínguez, Francisco Antonio / García Barroso, Carmelo
Language: Inglés
Repository: 30
Subject: Capsinoids / Capsaicinoids / Synthesis / Lipophilia / QSAR / Hansch´s transport model / Lipinski´s rule / Log P / IALOGP

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