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Four-Dimensional Structure–Activity Relationship Model to Predict HIV-1 Integrase Strand Transfer Inhibition using LQTA-QSAR Methodology

https://doi.org/10.1021/ci300039a
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Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1001/jama.300.5.555openalex-snapshot
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inferredcites →https://doi.org/10.1002/0471220655openalex-snapshot
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inferredcites →https://doi.org/10.1002/1521-3838(200210)21:4<382::aid-qsar382>3.0.co;2-lopenalex-snapshot
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inferredcites →https://doi.org/10.1002/9783527628766openalex-snapshot
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inferredcites →https://doi.org/10.1002/cem.1192openalex-snapshot
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inferredcites →https://doi.org/10.1002/cem.1331openalex-snapshot
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inferredcites →https://doi.org/10.1002/minf.201000181openalex-snapshot
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inferredcites →https://doi.org/10.1002/qsar.200390007openalex-snapshot
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inferredcites →https://doi.org/10.1002/qsar.200610151openalex-snapshot
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inferredcites →https://doi.org/10.1002/qua.1092openalex-snapshot
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inferredcites →https://doi.org/10.1007/s10822-007-9112-4openalex-snapshot
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inferredcites →https://doi.org/10.1007/s11030-011-9340-3openalex-snapshot
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inferredcites →https://doi.org/10.1007/s11224-006-9120-3openalex-snapshot
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inferredcites →https://doi.org/10.1016/0040-4020(80)80168-2openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.bmc.2005.01.036openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.bmc.2006.07.005openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.bmc.2006.07.032openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.bmc.2007.03.068openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.bmcl.2006.03.003openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.bmcl.2006.04.023openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.bmcl.2006.10.054openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.bmcl.2006.11.080openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.chemolab.2007.07.004openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.chemolab.2009.04.012openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.chemolab.2011.06.009openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.chemosphere.2004.07.056openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.clinthera.2008.10.012openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.ecoenv.2011.08.026openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.ejmech.2007.07.006openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.ejmech.2007.09.028openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.ejmech.2009.03.001openalex-snapshot
Multivariate QSAR study of 4,5-dihydroxypyrimidine carboxamides as HIV-1 integrase inhibitors
inferredcites →https://doi.org/10.1016/j.ejmech.2010.07.017openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.ejmech.2010.09.044openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.jmb.2008.04.054openalex-snapshot
Modeling, Analysis, and Validation of a Novel HIV Integrase Structure Provide Insights into the Binding Modes of Potent Integrase Inhibitors
inferredcites →https://doi.org/10.1016/j.jmgm.2008.09.011openalex-snapshot
A docking study of l-chicoric acid with HIV-1 integrase
inferredcites →https://doi.org/10.1016/j.theochem.2006.02.018openalex-snapshot
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inferredcites →https://doi.org/10.1021/ci015504aopenalex-snapshot
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inferredcites →https://doi.org/10.1021/ci020054nopenalex-snapshot
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inferredcites →https://doi.org/10.1021/ci049793popenalex-snapshot
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inferredcites →https://doi.org/10.1021/ci700157bopenalex-snapshot
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inferredcites →https://doi.org/10.1021/ci900014fopenalex-snapshot
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inferredcites →https://doi.org/10.1021/ja001152xopenalex-snapshot
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inferredcites →https://doi.org/10.1021/ja00518a014openalex-snapshot
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inferredcites →https://doi.org/10.1021/ja9718937openalex-snapshot
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inferredcites →https://doi.org/10.1021/jm00006a006openalex-snapshot
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inferredcites →https://doi.org/10.1021/jm000176bopenalex-snapshot
4-Aryl-2,4-dioxobutanoic Acid Inhibitors of HIV-1 Integrase and Viral Replication in Cells
inferredcites →https://doi.org/10.1021/jm010205yopenalex-snapshot
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inferredcites →https://doi.org/10.1021/jm020037popenalex-snapshot
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inferredcites →https://doi.org/10.1021/jm025553uopenalex-snapshot
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inferredcites →https://doi.org/10.1021/jm030378iopenalex-snapshot
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inferredcites →https://doi.org/10.1021/jm0408464openalex-snapshot
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inferredcites →https://doi.org/10.1073/pnas.96.23.13040openalex-snapshot
Structure of the HIV-1 integrase catalytic domain complexed with an inhibitor: A platform for antiviral drug design
inferredcites →https://doi.org/10.1080/00401706.1999.10485949openalex-snapshot
Chemometrics: A Practical Guide
inferredcites →https://doi.org/10.1093/mutage/geh043openalex-snapshot
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inferredcites →https://doi.org/10.1107/s0907444904011679openalex-snapshot
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inferredcites →https://doi.org/10.1111/j.1747-0285.2012.01338.xopenalex-snapshot
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inferredcites →https://doi.org/10.1126/science.287.5453.646openalex-snapshot
Inhibitors of Strand Transfer That Prevent Integration and Inhibit HIV-1 Replication in Cells
inferredcites →https://doi.org/10.1128/jvi.71.9.7005-7011.1997openalex-snapshot
Differential divalent cation requirements uncouple the assembly and catalytic reactions of human immunodeficiency virus type 1 integrase
inferredcites →https://doi.org/10.1186/1742-4690-5-114openalex-snapshot
Integrase and integration: biochemical activities of HIV-1 integrase
inferredcites →https://doi.org/10.1186/1742-4690-6-25openalex-snapshot
Raltegravir, elvitegravir, and metoogravir: the birth of "me-too" HIV-1 integrase inhibitors
inferredcites →https://doi.org/10.1186/1742-4690-6-33openalex-snapshot
Erratum to: Raltegravir, elvitegravir, and metoogravir: the birth of "me-too" HIV-1 integrase inhibitors
inferredcites →https://doi.org/10.1289/ehp.5758openalex-snapshot
Methods for reliability and uncertainty assessment and for applicability evaluations of classification- and regression-based QSARs.
inferredcites →https://doi.org/10.1590/s0100-40422001000500013openalex-snapshot
Proposição, validação e análise dos modelos que correlacionam estrutura química e atividade biológica
inferredcites →https://doi.org/10.1590/s0100-40422002000300027openalex-snapshot
Glossário de termos usados no planejamento de fármacos (recomendações da IUPAC para 1997)
inferredcites →https://doi.org/10.1590/s0103-50532009000400021openalex-snapshot
Basic validation procedures for regression models in QSAR and QSPR studies: theory and application
inferredcites →https://doi.org/10.1787/9789264085442-enopenalex-snapshot
Guidance Document on the Validation of (Quantitative) Structure-Activity Relationship [(Q)SAR] Models
inferredcites →https://doi.org/10.2174/1381612054864902openalex-snapshot
Application of 3D-QSAR Techniques in Anti-HIV-1 Drug Design - An Overview
inferredcites →https://doi.org/10.2174/138955709788681609openalex-snapshot
HIV/AIDS: Recent Advances in Antiretroviral Agents
inferredcites →https://doi.org/10.2174/157340907781695459openalex-snapshot
Computational Studies of HIV-1 Integrase and its Inhibitors
inferredcites →https://doi.org/10.3390/molecules15053281openalex-snapshot
4D-QSAR: Perspectives in Drug Design
inferredcites →https://doi.org/10.3998/ark.5550190.0007.717openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.drudis.2015.07.012openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jhazmat.2015.10.047openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.molstruc.2017.03.103openalex-snapshot
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