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ADME Evaluation in Drug Discovery. 9. Prediction of Oral Bioavailability in Humans Based on Molecular Properties and Structural Fingerprints

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ADME evaluation in drug discovery
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Recent developments in DEA
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Hologram QSAR model for the prediction of human oral bioavailability
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Prediction models of human plasma protein binding rate and oral bioavailability derived by using GA–CG–SVM method
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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1
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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
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Application of Genetic Function Approximation to Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships
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ADME Evaluation in Drug Discovery. 3. Modeling Blood-Brain Barrier Partitioning Using Simple Molecular Descriptors
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ADME Evaluation in Drug Discovery. 4. Prediction of Aqueous Solubility Based on Atom Contribution Approach
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ADME Evaluation in Drug Discovery. 5. Correlation of Caco-2 Permeation with Simple Molecular Properties
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Genetic Algorithm-Optimized QSPR Models for Bioavailability, Protein Binding, and Urinary Excretion
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ADME Evaluation in Drug Discovery. 7. Prediction of Oral Absorption by Correlation and Classification
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ADME Evaluation in Drug Discovery. 6. Can Oral Bioavailability in Humans Be Effectively Predicted by Simple Molecular Property-Based Rules?
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Applications of Genetic Algorithms on the Structure−Activity Relationship Analysis of Some Cinnamamides
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QSAR Model for Drug Human Oral Bioavailability
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Molecular Properties That Influence the Oral Bioavailability of Drug Candidates
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A Bioavailability Score
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Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 1. Prediction of intestinal absorption
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Predicting Human Oral Bioavailability of a Compound: Development of a Novel Quantitative Structure-Bioavailability Relationship
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Structure-Activity Relationships and Drug Disposition
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Using Extended-Connectivity Fingerprints with Laplacian-Modified Bayesian Analysis in High-Throughput Screening Follow-Up
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Multivariate Adaptive Regression Splines
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Structure – ADME relationship: still a long way to go?
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Recent Development and Application of Virtual Screening in Drug Discovery: An Overview
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Recent Developments of In Silico Predictions of Intestinal Absorption and Oral Bioavailability
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Adaptation in Natural and Artificial Systems

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inferred← citeshttps://doi.org/10.2174/0115680266280005231207105900openalex-snapshot
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inferred← citeshttps://doi.org/10.2174/138620711795508368openalex-snapshot
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inferred← citeshttps://doi.org/10.2174/1386207325666211207153943openalex-snapshot
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inferred← citeshttps://doi.org/10.2174/1568026619666190902145116openalex-snapshot
Recent Advances in Developing K-Ras Plasma Membrane Localization Inhibitors
inferred← citeshttps://doi.org/10.2174/1573406419666230410134213openalex-snapshot
Effects of Alkoxy Chain Length and 1-Hydroxy Group on Anticolorectal Cancer Activity of 2-Bromoalkoxyanthraquinones
inferred← citeshttps://doi.org/10.2174/1573409919666221208143327openalex-snapshot
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inferred← citeshttps://doi.org/10.22159/ijap.2018v10i6.29257openalex-snapshot
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inferred← citeshttps://doi.org/10.26434/chemrxiv.12891656openalex-snapshot
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inferred← citeshttps://doi.org/10.26434/chemrxiv.12891656.v1openalex-snapshot
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inferred← citeshttps://doi.org/10.26434/chemrxiv.12891656.v2openalex-snapshot
Thiazolidinones: Potential Human Novel Coronavirus (SARS-CoV-2) Protease Inhibitors Against COVID-19
inferred← citeshttps://doi.org/10.26717/bjstr.2018.09.001810openalex-snapshot
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inferred← citeshttps://doi.org/10.33263/briac116.1441314432openalex-snapshot
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inferred← citeshttps://doi.org/10.3389/fchem.2020.00726openalex-snapshot
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inferred← citeshttps://doi.org/10.3389/fphar.2019.01171openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/antiox12122070openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/ijms13066964openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/ijms18030620openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/ijms24032026openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/jox15050166openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/membranes14070157openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/molecules17033407openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/molecules22040632openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/molecules22101617openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/molecules28227457openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/molecules30071555openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/separations9110380openalex-snapshot
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inferred← citeshttps://doi.org/10.3797/scipharm.1306-10openalex-snapshot
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inferred← citeshttps://doi.org/10.6084/m9.figshare.17982809openalex-snapshot
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inferred← citeshttps://doi.org/10.7717/peerj.14120openalex-snapshot
Identification of 1H-purine-2,6-dione derivative as a potential SARS-CoV-2 main protease inhibitor: molecular docking, dynamic simulations, and energy calculations
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