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Physicochemical Space for Optimum Oral Bioavailability: Contribution of Human Intestinal Absorption and First-Pass Elimination
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/jps.1031openalex-snapshot
Evaluation of human intestinal absorption data and subsequent derivation of a quantitative structure–activity relationship (QSAR) with the Abraham descriptors
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The effects of ketoconazole on the intestinal metabolism and bioavailability of cyclosporine*
inferredcites →https://doi.org/10.1016/j.addr.2006.08.002openalex-snapshot
Quantitative structure–pharmacokinetic/pharmacodynamic relationships
inferredcites →https://doi.org/10.1016/j.clpt.2003.10.008openalex-snapshot
Cytochrome P450 3A4 and P‐glycoprotein Expression in Human Small Intestinal Enterocytes and Hepatocytes: A Comparative Analysis in Paired Tissue Specimens
inferredcites →https://doi.org/10.1016/j.coph.2006.04.009openalex-snapshot
Deconvoluting the effects of P-glycoprotein on intestinal CYP3A: a major challenge
inferredcites →https://doi.org/10.1016/j.tips.2009.02.003openalex-snapshot
How important is intestinal cytochrome P450 3A metabolism?
inferredcites →https://doi.org/10.1016/s0022-3565(25)22379-5openalex-snapshot
Interindividual variations in human liver cytochrome P-450 enzymes involved in the oxidation of drugs, carcinogens and toxic chemicals: studies with liver microsomes of 30 Japanese and 30 Caucasians.
inferredcites →https://doi.org/10.1016/s0031-6997(24)01402-9openalex-snapshot
Is the Role of the Small Intestine in First-Pass Metabolism Overemphasized?
inferredcites →https://doi.org/10.1016/s0090-9556(24)15271-3openalex-snapshot
Symposium Article: Molecular and Physical Mechanisms of First-Pass Extraction
inferredcites →https://doi.org/10.1016/s0169-409x(00)00126-5openalex-snapshot
Active secretion and enterocytic drug metabolism barriers to drug absorption1PII of original article: S0169-409X(96)003304. The article was originally published in Advanced Drug Delivery Reviews 20 (1996) 99–112.1
inferredcites →https://doi.org/10.1016/s0169-409x(96)00423-1openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
inferredcites →https://doi.org/10.1016/s0169-409x(97)00039-2openalex-snapshot
Enzyme-catalyzed processes of first-pass hepatic and intestinal drug extraction
inferredcites →https://doi.org/10.1016/s1359-6446(02)02478-9openalex-snapshot
Application of hydrogen bonding calculations in property based drug design
inferredcites →https://doi.org/10.1021/jm0000564openalex-snapshot
QSAR Model for Drug Human Oral Bioavailability
inferredcites →https://doi.org/10.1021/jm000407eopenalex-snapshot
Property-Based Design: Optimization of Drug Absorption and Pharmacokinetics
inferredcites →https://doi.org/10.1021/jm001101aopenalex-snapshot
Experimental and Computational Screening Models for the Prediction of Intestinal Drug Absorption
inferredcites →https://doi.org/10.1021/jm010253iopenalex-snapshot
Physicochemical Determinants of Passive Membrane Permeability: Role of Solute Hydrogen-Bonding Potential and Volume
inferredcites →https://doi.org/10.1021/jm020017nopenalex-snapshot
Molecular Properties That Influence the Oral Bioavailability of Drug Candidates
inferredcites →https://doi.org/10.1021/jm020986iopenalex-snapshot
Absorption Classification of Oral Drugs Based on Molecular Surface Properties
inferredcites →https://doi.org/10.1021/jm021053popenalex-snapshot
A Comparison of Physiochemical Property Profiles of Development and Marketed Oral Drugs
inferredcites →https://doi.org/10.1021/jm049661nopenalex-snapshot
In Silico Prediction of Membrane Permeability from Calculated Molecular Parameters
inferredcites →https://doi.org/10.1021/jm049717dopenalex-snapshot
Time-Related Differences in the Physical Property Profiles of Oral Drugs
inferredcites →https://doi.org/10.1021/jm051231popenalex-snapshot
Computational Prediction of Oral Drug Absorption Based on Absorption Rate Constants in Humans
inferredcites →https://doi.org/10.1021/jm701122qopenalex-snapshot
Generation of a Set of Simple, Interpretable ADMET Rules of Thumb
inferredcites →https://doi.org/10.1021/jm900403jopenalex-snapshot
Physicochemical Determinants of Human Renal Clearance
inferredcites →https://doi.org/10.1021/mp0499196openalex-snapshot
Functional Role of P-Glycoprotein in Limiting Intestinal Absorption of Drugs: Contribution of Passive Permeability to P-Glycoprotein Mediated Efflux Transport
inferredcites →https://doi.org/10.1023/a:1007556711109openalex-snapshot
Predicting Human Oral Bioavailability of a Compound: Development of a Novel Quantitative Structure-Bioavailability Relationship
inferredcites →https://doi.org/10.1023/a:1015040217741openalex-snapshot
Polar Molecular Surface as a Dominating Determinant for Oral Absorption and Brain Penetration of Drugs
inferredcites →https://doi.org/10.1038/clpt.1992.171openalex-snapshot
Bioavailability of cyclosporine with concomitant rifampin administration is markedly less than predicted by hepatic enzyme induction
inferredcites →https://doi.org/10.1038/nrd1032openalex-snapshot
ADMET in silico modelling: towards prediction paradise?
inferredcites →https://doi.org/10.1038/nrd2173openalex-snapshot
Simulation and prediction of in vivo drug metabolism in human populations from in vitro data
inferredcites →https://doi.org/10.1096/fj.08-114876openalex-snapshot
Intestinal cytochrome P450 3A plays an important role in the regulation of detoxifying systems in the liver
inferredcites →https://doi.org/10.1111/j.1365-2125.2003.02041.xopenalex-snapshot
Database analyses for the prediction of in vivo drug–drug interactions from in vitro data
inferredcites →https://doi.org/10.1124/dmd.105.008672openalex-snapshot
THE HUMAN INTESTINAL CYTOCHROME P450 “PIE”
inferredcites →https://doi.org/10.1124/dmd.108.020479openalex-snapshot
Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 670 Drug Compounds
inferredcites →https://doi.org/10.1124/dmd.109.029397openalex-snapshot
Inhibition and Stimulation of Intestinal and Hepatic CYP3A Activity: Studies in Humanized CYP3A4 Transgenic Mice Using Triazolam
inferredcites →https://doi.org/10.1172/jci113156openalex-snapshot
Identification of glucocorticoid-inducible cytochromes P-450 in the intestinal mucosa of rats and man.
inferredcites →https://doi.org/10.1172/jci34007openalex-snapshot
Gut instincts: CYP3A4 and intestinal drug metabolism
inferredcites →https://doi.org/10.1177/00912700122012724openalex-snapshot
Human Drug Metabolism and the Cytochromes P450: Application and Relevance of In Vitro Models
inferredcites →https://doi.org/10.1517/17425255.4.7.909openalex-snapshot
Potential role of intestinal first-pass metabolism in the prediction of drug–drug interactions
inferredcites →https://doi.org/10.2174/1389200043335423openalex-snapshot
Biopharmaceutic Classification System: A Scientific Framework for Pharmacokinetic Optimization in Drug Research
inferredcites →https://doi.org/10.2174/138920006776359266openalex-snapshot
The Impact of In Vitro Binding on In Vitro - In Vivo Extrapolations, Projections of Metabolic Clearance and Clinical Drug-Drug Interactions
inferredcites →https://doi.org/10.2174/138920007782109733openalex-snapshot
Prediction of Intestinal First-Pass Drug Metabolism
inferredcites →https://doi.org/10.2174/138920007782109788openalex-snapshot
The Role of the Intestine in Drug Metabolism and Pharmacokinetics: An Industry Perspective
inferredcites →https://doi.org/10.2174/138920007782109805openalex-snapshot
Maximal Inhibition of Intestinal First-Pass Metabolism as a Pragmatic Indicator of Intestinal Contribution to the Drug-Drug Interactions for CYP3A4 Cleared Drugs
inferredcites →https://doi.org/10.2174/138920008786049276openalex-snapshot
Grapefruit Juice-Drug Interaction Studies as a Method to Assess the Extent of Intestinal Availability: Utility and Limitations
inferredcites →https://doi.org/10.2174/1389557033487629openalex-snapshot
In Silico ADME Prediction: Data, Models, Facts and Myths
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
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The Utility of Eccs as a Roadmap to Improve Oral Bioavailability of New Molecular Entities: Industrial Perspective
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Air–liquid interface culture and modified culture medium promote the differentiation of human induced pluripotent stem cells into intestinal epithelial cells
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Quantitative prediction of human pharmacokinetic drug-drug interactions and drug clearance using humanized liver chimeric mice: a review
inferred← citeshttps://doi.org/10.1016/j.drudis.2010.11.014openalex-snapshot
The impact of aromatic ring count on compound developability: further insights by examining carbo- and hetero-aromatic and -aliphatic ring types
inferred← citeshttps://doi.org/10.1016/j.drudis.2014.01.007openalex-snapshot
How drug-like are ‘ugly’ drugs: do drug-likeness metrics predict ADME behaviour in humans?
inferred← citeshttps://doi.org/10.1016/j.drudis.2015.10.016openalex-snapshot
Smart materials: in situ gel-forming systems for nasal delivery
inferred← citeshttps://doi.org/10.1016/j.drudis.2019.03.015openalex-snapshot
ADMET modeling approaches in drug discovery
inferred← citeshttps://doi.org/10.1016/j.drudis.2019.10.014openalex-snapshot
A drug-likeness toolbox facilitates ADMET study in drug discovery
inferred← citeshttps://doi.org/10.1016/j.drudis.2020.01.012openalex-snapshot
Flexibility in early drug discovery: focus on the beyond-Rule-of-5 chemical space
inferred← citeshttps://doi.org/10.1016/j.drudis.2022.103387openalex-snapshot
Drug delivery challenges and formulation aspects of proteolysis targeting chimera (PROTACs)
inferred← citeshttps://doi.org/10.1016/j.drudis.2025.104431openalex-snapshot
Advantages, progress, and future trends in oral medicated jellies/gels: Focus on adherence aspects
inferred← citeshttps://doi.org/10.1016/j.ejcb.2025.151489openalex-snapshot
Human pluripotent stem cell-derived intestinal organoids for pharmacokinetic studies
inferred← citeshttps://doi.org/10.1016/j.ejmcr.2025.100250openalex-snapshot
Design, synthesis and evaluation of quinazoline-chalcone hybrids as inducers of cell-cycle arrest and apoptosis in breast cancer via DNA damage and CDK2/ATR inhibition
inferred← citeshttps://doi.org/10.1016/j.ejmech.2014.12.006openalex-snapshot
Decision trees to characterise the roles of permeability and solubility on the prediction of oral absorption
inferred← citeshttps://doi.org/10.1016/j.ejmech.2026.119418openalex-snapshot
Beyond global drug-likeness: The FamDLike framework as a target family-specific drug-likeness score
inferred← citeshttps://doi.org/10.1016/j.ejpb.2019.06.024openalex-snapshot
Surface Activity Profiling (SAP): A potential means of predicting intestinal membrane permeability
inferred← citeshttps://doi.org/10.1016/j.ejps.2011.08.007openalex-snapshot
In situ artificial membrane permeation assay under hydrodynamic control: Correlation between drug in vitro permeability and fraction absorbed in humans
inferred← citeshttps://doi.org/10.1016/j.ejps.2012.06.013openalex-snapshot
Application of PBPK modeling to predict human intestinal metabolism of CYP3A substrates – An evaluation and case study using GastroPlus™
inferred← citeshttps://doi.org/10.1016/j.ejps.2013.08.018openalex-snapshot
Animal versus human oral drug bioavailability: Do they correlate?
inferred← citeshttps://doi.org/10.1016/j.ejps.2013.09.006openalex-snapshot
Quantitative prediction of formulation-specific food effects and their population variability from in vitro data with the physiologically-based ADAM model: A case study using the BCS/BDDCS Class II drug nifedipine
inferred← citeshttps://doi.org/10.1016/j.ejps.2013.09.008openalex-snapshot
PBPK models for the prediction of in vivo performance of oral dosage forms
inferred← citeshttps://doi.org/10.1016/j.ejps.2018.01.001openalex-snapshot
Learning how to use IAM chromatography for predicting permeability
inferred← citeshttps://doi.org/10.1016/j.ejps.2020.105543openalex-snapshot
Prediction of negative food effect induced by bile micelle binding on oral absorption of hydrophilic cationic drugs
inferred← citeshttps://doi.org/10.1016/j.ejps.2024.106760openalex-snapshot
Ex vivo gut-hepato-biliary organ perfusion model to characterize oral absorption, gut-wall metabolism, pre-systemic hepatic metabolism and biliary excretion; application to midazolam
inferred← citeshttps://doi.org/10.1016/j.envint.2022.107722openalex-snapshot
Comparison of toxicokinetic properties of eleven analogues of Bisphenol A in pig after intravenous and oral administrations
inferred← citeshttps://doi.org/10.1016/j.envint.2024.109108openalex-snapshot
Elucidating impacts of partitioning and transmembrane permeability on absorption of chemicals in human gastrointestinal tract
inferred← citeshttps://doi.org/10.1016/j.ijpharm.2012.07.041openalex-snapshot
The impact of training set data distributions for modelling of passive intestinal absorption
inferred← citeshttps://doi.org/10.1016/j.jconrel.2021.05.028openalex-snapshot
In vitro models replicating the human intestinal epithelium for absorption and metabolism studies: A systematic review
inferred← citeshttps://doi.org/10.1016/j.jep.2017.01.002openalex-snapshot
Drug-likeness prediction of chemical constituents isolated from Chinese materia medica Ciwujia
inferred← citeshttps://doi.org/10.1016/j.jhazmat.2024.133977openalex-snapshot
The hapten rigidity improves antibody performances in immunoassay for rifamycins: Immunovalidation and molecular mechanism
inferred← citeshttps://doi.org/10.1016/j.jmgm.2016.12.019openalex-snapshot
First protein drug target’s appraisal of lead-likeness descriptors to unfold the intervening chemical space
inferred← citeshttps://doi.org/10.1016/j.jpba.2019.05.006openalex-snapshot
Development and validation of an absolute protein assay for the simultaneous quantification of fourteen CYP450s in human microsomes by HPLC-MS/MS-based targeted proteomics
inferred← citeshttps://doi.org/10.1016/j.molstruc.2020.129255openalex-snapshot
Design, synthesis, anticancer and antioxidant activities of amide linked 1,4-disubstituted 1,2,3-triazoles
inferred← citeshttps://doi.org/10.1016/j.molstruc.2024.139898openalex-snapshot
Synthesis, insecticidal evaluation, crystal structure and theoretical calculations of nine/ten-membered carbon bridged neonicotinoid analogues
inferred← citeshttps://doi.org/10.1016/j.molstruc.2025.145179openalex-snapshot
Novel nitrothiophene derivatives: Synthesis, insecticidal evaluation, and molecular insights for targeting nAChRs
inferred← citeshttps://doi.org/10.1016/j.molstruc.2026.147342openalex-snapshot
Novel Cr (III), Fe (III), and Zn (II) complexes with new tridentate azo ligand type (ONO) donor: Design, synthesis, characterization, DFT, molecular docking, anticancer and antimicrobial investigations
inferred← citeshttps://doi.org/10.1016/j.namjnl.2026.100095openalex-snapshot
Integrating static and dynamic human in vitro gut-models to assess intestinal absorption, metabolism, and non-specific binding of pesticides
inferred← citeshttps://doi.org/10.1016/j.pharmthera.2025.108879openalex-snapshot
Human intestinal enteroids: Nonclinical applications for predicting oral drug disposition, toxicity, and efficacy
inferred← citeshttps://doi.org/10.1016/j.phyplu.2022.100222openalex-snapshot
Hexacosylidenecyclohexane inhibits enzymatic breakdown of dietary sugars and modulates glucose homeostasis
inferred← citeshttps://doi.org/10.1016/j.toxrep.2020.01.004openalex-snapshot
Determination and prediction of permeability across intestinal epithelial cell monolayer of a diverse range of industrial chemicals/drugs for estimation of oral absorption as a putative marker of hepatotoxicity
inferred← citeshttps://doi.org/10.1016/j.xphs.2015.11.005openalex-snapshot
Explication of Definitional Description and Empirical Use of Fraction of Orally Administered Drugs Absorbed From the Intestine (F a ) and Intestinal Availability (F g ): Effect of P-glycoprotein and CYP3A on F a and F g
inferred← citeshttps://doi.org/10.1016/j.xphs.2018.09.036openalex-snapshot
The Irrelevance of In Vitro Dissolution in Setting Product Specifications for Drugs Like Dextromethorphan That are Subject to Lysosomal Trapping
inferred← citeshttps://doi.org/10.1016/j.xphs.2019.12.019openalex-snapshot
Successful Prediction of Human Pharmacokinetics After Oral Administration by Optimized Physiologically Based Pharmacokinetics Approach and Permeation Assay Using Human Induced Pluripotent Stem Cell–Derived Intestinal Epithelial Cells
inferred← citeshttps://doi.org/10.1016/j.xphs.2022.05.010openalex-snapshot
In Silico Predictions of the Gastrointestinal Uptake of Macrocycles in Man Using Conformal Prediction Methodology
inferred← citeshttps://doi.org/10.1016/j.xphs.2022.06.024openalex-snapshot
The Impact of Reference Data Selection for the Prediction Accuracy of Intrinsic Hepatic Metabolic Clearance
inferred← citeshttps://doi.org/10.1016/j.xphs.2024.02.026openalex-snapshot
Construction of An Oral Bioavailability Prediction Model Based on Machine Learning for Evaluating Molecular Modifications
inferred← citeshttps://doi.org/10.1016/j.xphs.2026.104485openalex-snapshot
Deriving clearance and bioavailability from oral clinical PK studies with information on fraction absorbed, including radiolabeled mass-balance studies
inferred← citeshttps://doi.org/10.1016/j.yrtph.2025.106009openalex-snapshot
Establishing best practice for N-nitrosamine read-across and surrogate selection
inferred← citeshttps://doi.org/10.1016/j.yrtph.2026.106215openalex-snapshot
Toxicological assessment of potential leachables in parenteral drug products: Bioavailability adjustment considerations
inferred← citeshttps://doi.org/10.1016/s0065-7743(10)45024-1openalex-snapshot
Reducing the Risk of Drug Attrition Associated with Physicochemical Properties
inferred← citeshttps://doi.org/10.1016/s0079-6468(10)49004-9openalex-snapshot
Computational Analysis of Structure–Activity Relationships
inferred← citeshttps://doi.org/10.1021/acs.est.2c08470openalex-snapshot
Explore the Dosimetric Relationship between the Intake of Chemical Contaminants and Their Occurrence in Blood and Urine
inferred← citeshttps://doi.org/10.1021/acs.jafc.0c04450openalex-snapshot
Assessment of Oral Bioavailability and Biotransformation of Emulsified Nobiletin Using In Vitro and In Vivo Models
inferred← citeshttps://doi.org/10.1021/acs.jcim.0c00019openalex-snapshot
ADME Prediction with KNIME: Development and Validation of a Publicly Available Workflow for the Prediction of Human Oral Bioavailability
inferred← citeshttps://doi.org/10.1021/acs.jcim.3c00960openalex-snapshot
Recent Studies of Artificial Intelligence on In Silico Drug Absorption
inferred← citeshttps://doi.org/10.1021/acs.jcim.4c00147openalex-snapshot
Enhanced Calculation of Property Distributions in Chemical Fragment Spaces
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b00541openalex-snapshot
Structural Analysis and Identification of Colloidal Aggregators in Drug Discovery
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b01185openalex-snapshot
Druggability Assessment in TRAPP Using Machine Learning Approaches
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.1c00669openalex-snapshot
Global Analysis of Models for Predicting Human Absorption: QSAR, In Vitro , and Preclinical Models
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.2c01079openalex-snapshot
Identification of Organic Anion Transporter 2 Inhibitors: Screening, Structure-Based Analysis, and Clinical Drug Interaction Risk Assessment
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.3c00481openalex-snapshot
DruMAP: A Novel Drug Metabolism and Pharmacokinetics Analysis Platform
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.3c02446openalex-snapshot
Pharmacokinetics Profiler (PhaKinPro): Model Development, Validation, and Implementation as a Web Tool for Triaging Compounds with Undesired Pharmacokinetics Profiles
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.5b01286openalex-snapshot
How Beyond Rule of 5 Drugs and Clinical Candidates Bind to Their Targets
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.5c01484openalex-snapshot
Design, Synthesis, and Biological Evaluation of Novel Core Scaffold-Modified HIV-1 Protease Inhibitors for Overcoming Drug Resistance
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.5c03306openalex-snapshot
Optimization of Covalent Warhead Trajectory for KRAS G12C Active-State Inhibition
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.6b01287openalex-snapshot
Opportunities and Challenges for Fatty Acid Mimetics in Drug Discovery
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.9b00998openalex-snapshot
Discovery and Pharmacological Studies of 4-Hydroxyphenyl-Derived Phosphonium Salts Active in a Mouse Model of Visceral Leishmaniasis
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.9b01476openalex-snapshot
Application of Negative Design To Design a More Desirable Virtual Screening Library
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.9b01813openalex-snapshot
Integrating the Impact of Lipophilicity on Potency and Pharmacokinetic Parameters Enables the Use of Diverse Chemical Space during Small Molecule Drug Optimization
inferred← citeshttps://doi.org/10.1021/acs.molpharmaceut.5c00755openalex-snapshot
Canine Mdr1 Knockout MDCK Cells Reliably Estimate Human Small Intestinal Permeability (Peff) and Fraction Absorbed (fa)
inferred← citeshttps://doi.org/10.1021/acs.molpharmaceut.6b00836openalex-snapshot
Predicting Passive Permeability of Drug-like Molecules from Chemical Structure: Where Are We?
inferred← citeshttps://doi.org/10.1021/acs.molpharmaceut.7b00772openalex-snapshot
High Expression of UGT1A1/1A6 in Monkey Small Intestine: Comparison of Protein Expression Levels of Cytochromes P450, UDP-Glucuronosyltransferases, and Transporters in Small Intestine of Cynomolgus Monkey and Human
inferred← citeshttps://doi.org/10.1021/acs.molpharmaceut.8b00129openalex-snapshot
Improved Predictions of Drug–Drug Interactions Mediated by Time-Dependent Inhibition of CYP3A
inferred← citeshttps://doi.org/10.1021/acsmedchemlett.3c00001openalex-snapshot
Trust Your Gut: Strategies and Tactics for Intestinally Restricted Drugs
inferred← citeshttps://doi.org/10.1021/ci200266dopenalex-snapshot
DrugPred: A Structure-Based Approach To Predict Protein Druggability Developed Using an Extensive Nonredundant Data Set
inferred← citeshttps://doi.org/10.1021/ci3002809openalex-snapshot
QSAR Models for P-Glycoprotein Transport Based on a Highly Consistent Data Set
inferred← citeshttps://doi.org/10.1021/ci300348uopenalex-snapshot
Coping with Unbalanced Class Data Sets in Oral Absorption Models
inferred← citeshttps://doi.org/10.1021/ci400378jopenalex-snapshot
Pre-processing Feature Selection for Improved C&RT Models for Oral Absorption
inferred← citeshttps://doi.org/10.1021/jm300700vopenalex-snapshot
Discovery of a Series of 2-Phenyl-N-(2-(pyrrolidin-1-yl)phenyl)acetamides as Novel Molecular Switches that Modulate Modes of Kv7.2 (KCNQ2) Channel Pharmacology: Identification of (S)-2-Phenyl-N-(2-(pyrrolidin-1-yl)phenyl)butanamide (ML252) as a Potent, Brain Penetrant Kv7.2 Channel Inhibitor
inferred← citeshttps://doi.org/10.1021/jm301741topenalex-snapshot
Discovery of (R)-4-Cyclopropyl-7,8-difluoro-5-(4-(trifluoromethyl)phenylsulfonyl)-4,5-dihydro-1H-pyrazolo[4,3-c]quinoline (ELND006) and (R)-4-Cyclopropyl-8-fluoro-5-(6-(trifluoromethyl)pyridin-3-ylsulfonyl)-4,5-dihydro-2H-pyrazolo[4,3-c]quinoline (ELND007): Metabolically Stable γ-Secretase…
inferred← citeshttps://doi.org/10.1021/jm501000aopenalex-snapshot
Acidic and Basic Drugs in Medicinal Chemistry: A Perspective
inferred← citeshttps://doi.org/10.1021/mp2004912openalex-snapshot
pH-Dependent Solubility and Permeability Criteria for Provisional Biopharmaceutics Classification (BCS and BDDCS) in Early Drug Discovery
inferred← citeshttps://doi.org/10.1021/mp300484ropenalex-snapshot
In Silico Categorization of in Vivo Intrinsic Clearance Using Machine Learning
inferred← citeshttps://doi.org/10.1021/mp500783gopenalex-snapshot
Predicting the Extent of Metabolism Usingin VitroPermeability Rate Measurements andin SilicoPermeability Rate Predictions
inferred← citeshttps://doi.org/10.1021/tx200211vopenalex-snapshot
Improving Drug Candidates by Design: A Focus on Physicochemical Properties As a Means of Improving Compound Disposition and Safety
inferred← citeshttps://doi.org/10.1038/nchembio.2203openalex-snapshot
Structural and conformational determinants of macrocycle cell permeability
inferred← citeshttps://doi.org/10.1038/nrd3552openalex-snapshot
The influence of the 'organizational factor' on compound quality in drug discovery
inferred← citeshttps://doi.org/10.1038/psp.2014.50openalex-snapshot
Toward Prospective Prediction of Pharmacokinetics in OATP1B1 Genetic Variant Populations
inferred← citeshttps://doi.org/10.1038/s41598-019-55325-1openalex-snapshot
Development of an in silico prediction system of human renal excretion and clearance from chemical structure information incorporating fraction unbound in plasma as a descriptor
inferred← citeshttps://doi.org/10.1038/s41598-024-80946-6openalex-snapshot
Development of a novel gut microphysiological system that facilitates assessment of drug absorption kinetics in gut
inferred← citeshttps://doi.org/10.1038/s41598-025-22425-0openalex-snapshot
Genome edited intestine liver on a chip system for integrated intestinal hepatic drug absorption and metabolism evaluation
inferred← citeshttps://doi.org/10.1038/s41598-025-95823-zopenalex-snapshot
Robust and reproducible human intestinal organoid-derived monolayer model for analyzing drug absorption
inferred← citeshttps://doi.org/10.1038/s44385-026-00099-1openalex-snapshot
Engineering human Gut-on-a-Chip culturomics for predictive pharmacomicrobiomics of first-pass metabolism
inferred← citeshttps://doi.org/10.1039/9781782623113-00367openalex-snapshot
Optimizing the Permeability and Oral Bioavailability of Macrocycles
inferred← citeshttps://doi.org/10.1039/9781788016414-00036openalex-snapshot
Optimisation of Passive Permeability for Oral Absorption
inferred← citeshttps://doi.org/10.1039/9781788016414-00173openalex-snapshot
Cytochrome P450 Metabolism
inferred← citeshttps://doi.org/10.1039/9781849732093-00531openalex-snapshot
Toxicokinetic Considerations in Predicting Toxicity
inferred← citeshttps://doi.org/10.1039/c0md00157kopenalex-snapshot
Impact of ion class and time on oral drug molecular properties
inferred← citeshttps://doi.org/10.1039/c2md20010dopenalex-snapshot
Enantiomeric pairs reveal that key medicinal chemistry parameters vary more than simple physical property based models can explain
inferred← citeshttps://doi.org/10.1039/c5cc09089jopenalex-snapshot
Highly enantioselective hydrogenation of α-oxy functionalized α,β-unsaturated acids catalyzed by a ChenPhos–Rh complex in CF 3 CH 2 OH
inferred← citeshttps://doi.org/10.1039/c6ib00243aopenalex-snapshot
Multi-functional scaling methodology for translational pharmacokinetic and pharmacodynamic applications using integrated microphysiological systems (MPS)
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