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Speck-Planche A, Cordeiro MNDS. Simultaneous modeling of antimycobacterial activities and ADMET profiles: a chemoinformatic approach to medicinal chemistry. Curr Top Med Chem 2013; 13: 1656-65.
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Simultaneous virtual prediction of anti-Escherichia coli activities and ADMET profiles: A chemoinformatic complementary approach for high-throughput screening
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Speck-Planche A, Cordeiro MNDS. Simultaneous virtual prediction of anti-Escherichia coli activities and ADMET profiles: A chemoinformatic complementary approach for high-throughput screening. ACS Comb Sci 2014; 16: 78-84.
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ACS Comb Sci
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Chemoinformatics for medicinal chemistry: In silico model to enable the discovery of potent and safer anti-cocci agents
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Speck-Planche A, Cordeiro MNDS. Chemoinformatics for medicinal chemistry: in silico model to enable the discovery of potent and safer anti-cocci agents. Future Med Chem 2014; 6: 2013-28.
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Using the TOPS-MODE approach to fit multi-target QSAR models for tyrosine kinases inhibitors
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Abelson tyrosine-protein kinase 1 as principal target for drug discovery against leukemias. Role of the current computer-aided drug design methodologies
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Speck-Planche A, Luan F, Cordeiro MNDS. Abelson tyrosine-protein kinase 1 as principal target for drug discovery against leukemias. Role of the current computer-aided drug design methodologies. Curr Top Med Chem 2012; 12: 2745-62.
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Unified multi-target approach for the rational in silico design of anti-bladder cancer agents
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Speck-Planche A, Kleandrova VV, Luan F, Cordeiro MNDS. Unified multi-target approach for the rational in silico design of anti-bladder cancer agents. Anticancer Agents Med Chem 2013; 13: 791-800.
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Anticancer Agents Med Chem
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Model for High-Throughput Screening of Multi-Target Drugs in Chemical Neuro-sciences; Synthesis, Assay and Theoretic Study of Rasagiline Carbamates
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Alonso N, Caamano O, Romero-Duran FJ, et al. Model for High-Throughput Screening of Multi-Target Drugs in Chemical Neuro-sciences; Synthesis, Assay and Theoretic Study of Rasagiline Carbamates. ACS Chem Neurosci 2013; 4: 1393-403.
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QSAR and molecular docking techniques for the discovery of potent monoamine oxidase B inhibitors: Computer-aided generation of new rasagiline bioisosteres
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Speck-Planche A, Kleandrova VV. QSAR and molecular docking techniques for the discovery of potent monoamine oxidase B inhibitors: Computer-aided generation of new rasagiline bioisosteres. Curr Top Med Chem 2012; 12: 1734-47.
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Discovery of anti-Alzheimer agents: Current ligand-based approaches toward the design of acetylcholinesterase inhibitors
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Speck-Planche A, Luan F, Cordeiro MNDS. Discovery of anti-Alzheimer agents: current ligand-based approaches toward the design of acetylcholinesterase inhibitors. Mini Rev Med Chem 2012; 12: 583-91.
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Mini Rev Med Chem
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TOPS-MODE model of multiplexing neuroprotective effects of drugs and experimental-theoretic study of new 1,3-rasagiline derivatives potentially useful in neurodegenerative diseases
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Luan F, Cordeiro MNDS, Alonso N, et al. TOPS-MODE model of multiplexing neuroprotective effects of drugs and experimental-theoretic study of new 1,3-rasagiline derivatives potentially useful in neurodegenerative diseases. Bioorg Med Chem 2013; 21: 1870-9.
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Multi-target inhibitors for proteins associated with Alzheimer: In silico discovery using fragment-based descriptors
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Speck-Planche A, Kleandrova VV, Luan F, Cordeiro MNDS. Multi-target inhibitors for proteins associated with Alzheimer: In silico discovery using fragment-based descriptors. Curr Alzheimer Res 2013; 10: 117-24.
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Curr Alzheimer Res
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