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Title: Conformation-Independent QSAR Study on Human Epidermal Growth Factor Receptor-2 (HER2) InhibitorsAuthor: Duchowicz, Pablo Román / Fioressi, Silvina E. / Castro, Eduardo Alberto / Wróbel, Karolina / Ibezim, Nnenna E. / Bacelo, Daniel E.Language: InglésRepository: 37Subject: Ciencias Exactas / Física / Química / cancer / HER2 / QSAR / tyrosine kinase protein
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Title: Atom, atom-type, and total linear indices of the "molecular pseudograph's atom adjacency matrix": Application to QSPR/QSAR studies of organic compoundsAuthor: Marrero Ponce, Yovani / Castillo Garit, Juan Alberto / Torrens, Francisco / Romero Zaldívar, Vicente / Castro, Eduardo A.Language: EspañolRepository: 37
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Title: Identification of cisapride as new inhibitor of putrescine uptake in Trypanosoma cruzi by combined ligand- and structure-based virtual screeningAuthor: Dietrich, Roque Carlos / Alberca, Lucas Nicolás / Ruiz, María Daniela / Palestro, Pablo Hernán / Carrillo, Carolina / Talevi, Alan / Gavernet, LucianaLanguage: InglésRepository: 37Subject: Química / Chagas disease / Cisapride / Docking / Drug repositioning / QSAR / TcPAT12 / TcPOT1.1.
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Title: Upgrading the Wiener indexLanguage: InglésRepository: 37Subject: 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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