On the public citation graph
Prediction of Polar Surface Area and Drug Transport Processes Using Simple Parameters and PLS Statistics
0 signed · 99 inferred · view as graph
Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.
Is this your work? Sign in with ORCID and put your name on the
claims that are yours.
Reference health. See whether every reference in this work resolves to a
known work and none has been retracted — and get a dated CiteStamped
badge you can embed.
What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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/s0928-0987(98)00059-1openalex-snapshot
Theoretical calculation and prediction of intestinal absorption of drugs in humans using MolSurf parametrization and PLS statistics
inferredcites →https://doi.org/10.1021/js950285ropenalex-snapshot
Correlation of Drug Absorption with Molecular Surface Properties
inferredcites →https://doi.org/10.1023/a:1008718204115openalex-snapshot
The applicability of computational chemistry in the evaluation and prediction of drug transport properties
inferredcites →https://doi.org/10.1023/a:1011905522110openalex-snapshot
Predicting Drug Absorption from Molecular Surface Properties Based on Molecular Dynamics Simulations
inferredcites →https://doi.org/10.1023/a:1012188625088openalex-snapshot
Polar Molecular Surface Properties Predict the Intestinal Absorption of Drugs in Humans
inferredcites →https://doi.org/10.1023/a:1015040217741openalex-snapshot
Polar Molecular Surface as a Dominating Determinant for Oral Absorption and Brain Penetration of Drugs
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9781118788523.ch18openalex-snapshot
Designing CNS Drugs for Optimal Brain Exposure
inferred← citeshttps://doi.org/10.1002/9781118788523.ch9openalex-snapshot
In SilicoTools for Predicting Brain Exposure of Drugs
inferred← citeshttps://doi.org/10.1002/9781118916926.ch10openalex-snapshot
In Silico Approaches to Predict Intestinal Permeability
inferred← citeshttps://doi.org/10.1002/9781119660699.ch45openalex-snapshot
Blood–Brain Barrier Permeability Assessment for Small‐Molecule Drug Discovery Using Computational Techniques
inferred← citeshttps://doi.org/10.1002/9783527621286.ch2openalex-snapshot
Physicochemical Properties in Drug Profiling
inferred← citeshttps://doi.org/10.1002/9783527621286.ch6openalex-snapshot
H‐Bonding Parameterization in Quantitative Structure–Activity Relationships and Drug Design
inferred← citeshttps://doi.org/10.1002/9783527623860.ch17openalex-snapshot
Simulations of Absorption, Metabolism, and Bioavailability
inferred← citeshttps://doi.org/10.1002/9783527623860.ch5openalex-snapshot
Physicochemical Approaches to Drug Absorption
inferred← citeshttps://doi.org/10.1002/bmc.70082openalex-snapshot
Preclinical Pharmacokinetic Assessment of a Promising Vasorelaxant, Analgesic, and Anti‐Inflammatory Prototype 5‐[1‐(4‐Fluorophenyl)‐1H‐pyrazol‐4‐yl]‐2H‐tetrazole (LQFM020) Through Selective Bioanalytical HPLC‐PDA‐Based Method
inferred← citeshttps://doi.org/10.1002/chin.200106213openalex-snapshot
ChemInform Abstract: Prediction of Polar Surface Area and Drug Transport Processes Using Simple Parameters and PLS Statistics.
inferred← citeshttps://doi.org/10.1002/cmdc.200600155openalex-snapshot
Prediction of ADMET Properties
inferred← citeshttps://doi.org/10.1002/cmdc.201700023openalex-snapshot
The Isoxazole Ring and Its N‐Oxide: A Privileged Core Structure in Neuropsychiatric Therapeutics
inferred← citeshttps://doi.org/10.1002/jps.21745openalex-snapshot
In vivo, in vitro and in silico methods for small molecule transfer across the BBB
inferred← citeshttps://doi.org/10.1002/ps.441openalex-snapshot
Selecting the right compounds for screening: use of surface‐area parameters
inferred← citeshttps://doi.org/10.1002/psp4.12414openalex-snapshot
Physiologically‐Based Pharmacokinetic Modeling of Fluconazole Using Plasma and Cerebrospinal Fluid Samples From Preterm and Term Infants
inferred← citeshttps://doi.org/10.1002/qsar.200330868openalex-snapshot
A General Model for Prediction of Caco‐2 Cell Permeability
inferred← citeshttps://doi.org/10.1007/978-0-387-30380-2_6openalex-snapshot
A Practical Approach to Computational Models of the Blood–Brain Barrier
inferred← citeshttps://doi.org/10.1007/978-0-387-74901-3_22openalex-snapshot
In Silico Modeling for Blood—Brain Barrier Permeability Predictions
inferred← citeshttps://doi.org/10.1007/978-1-4614-9105-7_11openalex-snapshot
Prediction of Drug Exposure in the Brain from the Chemical Structure
inferred← citeshttps://doi.org/10.1007/978-3-030-88773-5_14openalex-snapshot
Prediction of Drug Exposure in the Brain from the Chemical Structure
inferred← citeshttps://doi.org/10.1007/s00044-013-0582-8openalex-snapshot
Design, synthesis and evaluation of aminobenzophenone derivatives containing nitrogen mustard moiety as potential central nervous system antitumor agent
inferred← citeshttps://doi.org/10.1007/s00044-013-0833-8openalex-snapshot
Reversible redox system-based drug design, synthesis, and evaluation for targeting nitrogen mustard across brain
inferred← citeshttps://doi.org/10.1007/s10910-009-9552-2openalex-snapshot
Molecular modeling of wine polyphenols
inferred← citeshttps://doi.org/10.1007/s11095-012-0806-5openalex-snapshot
Computational Prediction of CNS Drug Exposure Based on a Novel In Vivo Dataset
inferred← citeshttps://doi.org/10.1007/s42452-022-04968-3openalex-snapshot
A computational study of somatostatin subtype-4 receptor agonist binding
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00145-0openalex-snapshot
In Silico Models to Predict Oral Absorption
inferred← citeshttps://doi.org/10.1016/j.bej.2021.108054openalex-snapshot
Machine learning for biochemical engineering: A review
inferred← citeshttps://doi.org/10.1016/j.bmc.2006.03.012openalex-snapshot
Correlation of blood–brain penetration using structural descriptors
inferred← citeshttps://doi.org/10.1016/j.brainresbull.2020.03.018openalex-snapshot
Revisiting the blood-brain barrier: A hard nut to crack in the transportation of drug molecules
inferred← citeshttps://doi.org/10.1016/j.chroma.2006.10.068openalex-snapshot
Evaluation of chromatographic descriptors for the prediction of gastro-intestinal absorption of drugs
inferred← citeshttps://doi.org/10.1016/j.cmpb.2009.03.006openalex-snapshot
A prediction model for blood–brain barrier permeation and analysis on its parameter biologically
inferred← citeshttps://doi.org/10.1016/j.drudis.2009.07.009openalex-snapshot
Brain drug targeting: a computational approach for overcoming blood–brain barrier
inferred← citeshttps://doi.org/10.1016/j.ejmech.2009.11.034openalex-snapshot
Neural computational prediction of oral drug absorption based on CODES 2D descriptors
inferred← citeshttps://doi.org/10.1016/j.ejmech.2010.11.005openalex-snapshot
Prediction of drug intestinal absorption by new linear and non-linear QSPR
inferred← citeshttps://doi.org/10.1016/j.ejmech.2012.03.026openalex-snapshot
Synthesis, evaluation of anticancer activity and COMPARE analysis of N-bis(trifluoromethyl)alkyl-N’-substituted ureas with pharmacophoric moieties
inferred← citeshttps://doi.org/10.1016/j.ejps.2004.05.009openalex-snapshot
Drug permeation in biomembranes
inferred← citeshttps://doi.org/10.1016/j.ejps.2021.105974openalex-snapshot
Design, synthesis and biological evaluation of naphthalene-derived (arylalkyl)azoles containing heterocyclic linkers as new anticonvulsants: A comprehensive in silico, in vitro, and in vivo study
inferred← citeshttps://doi.org/10.1016/j.ijpharm.2008.04.025openalex-snapshot
Prediction of oral absorption in humans by experimental immobilized artificial membrane chromatography indices and physicochemical descriptors
inferred← citeshttps://doi.org/10.1016/j.ijpharm.2012.06.049openalex-snapshot
Similar molecular descriptors determine the in vitro drug permeability in endothelial and epithelial cells
inferred← citeshttps://doi.org/10.1016/j.jpba.2006.06.022openalex-snapshot
Exploration of linear modelling techniques and their combination with multivariate adaptive regression splines to predict gastro-intestinal absorption of drugs
inferred← citeshttps://doi.org/10.1016/j.jpba.2017.05.041openalex-snapshot
Combined computational-experimental approach to predict blood–brain barrier (BBB) permeation based on “green” salting-out thin layer chromatography supported by simple molecular descriptors
inferred← citeshttps://doi.org/10.1016/j.jpba.2018.05.021openalex-snapshot
A new descriptor via bio-mimetic chromatography and modeling for the blood brain barrier (Part II)
inferred← citeshttps://doi.org/10.1016/j.microc.2020.105236openalex-snapshot
Assessment of blood–brain barrier permeability using micellar electrokinetic chromatography and P_VSA-like descriptors
inferred← citeshttps://doi.org/10.1016/j.molstruc.2019.127070openalex-snapshot
Synthesis, characterization and crystal structure of new tetrahydro-β-carboline as acetylcholinesterase inhibitor
inferred← citeshttps://doi.org/10.1016/s0079-6468(02)41001-6openalex-snapshot
Predicting Oral Absorption and Bioavailability
inferred← citeshttps://doi.org/10.1016/s0169-409x(02)00004-2openalex-snapshot
Prediction of intestinal permeability
inferred← citeshttps://doi.org/10.1016/s0169-409x(02)00005-4openalex-snapshot
Computational approaches to the prediction of the blood–brain distribution
inferred← citeshttps://doi.org/10.1016/s0169-409x(02)00013-3openalex-snapshot
Physiologically-based pharmacokinetic simulation modelling
inferred← citeshttps://doi.org/10.1016/s1093-3263(02)00163-8openalex-snapshot
Hydrogen bonding descriptors in the prediction of human in vivo intestinal permeability
inferred← citeshttps://doi.org/10.1016/s1359-6446(01)01990-0openalex-snapshot
The impact of informatics and computational chemistry on synthesis and screening
inferred← citeshttps://doi.org/10.1016/s1359-6446(02)02478-9openalex-snapshot
Application of hydrogen bonding calculations in property based drug design
inferred← citeshttps://doi.org/10.1021/acschemneuro.0c00686openalex-snapshot
Unnarmicin D, an Anti-inflammatory Cyanobacterial Metabolite with δ and μ Opioid Binding Activity Discovered via a Pipeline Approach Designed to Target Neurotherapeutics
inferred← citeshttps://doi.org/10.1021/acsomega.8b03328openalex-snapshot
Predicting Blood–Brain Partitioning of Small Molecules Using a Novel Minimalistic Descriptor-Based Approach via the 3D-RISM-KH Molecular Solvation Theory
inferred← citeshttps://doi.org/10.1021/bk-2016-1222.ch014openalex-snapshot
Steps Toward a Virtual Rat: Predictive Absorption, Distribution, Metabolism, and Toxicity Models
inferred← citeshttps://doi.org/10.1021/ci010072popenalex-snapshot
Computing Wiener-Type Indices for Virtual Combinatorial Libraries Generated from Heteroatom-Containing Building Blocks
inferred← citeshttps://doi.org/10.1021/ci010290iopenalex-snapshot
Development of Quantitative Structure−Property Relationship Models for Early ADME Evaluation in Drug Discovery. 2. Blood-Brain Barrier Penetration
inferred← citeshttps://doi.org/10.1021/ci034205dopenalex-snapshot
Blood-Brain Barrier Permeation Models: Discriminating between Potential CNS and Non-CNS Drugs Including P-Glycoprotein Substrates
inferred← citeshttps://doi.org/10.1021/ci050303iopenalex-snapshot
In Silico Prediction of Blood Brain Barrier Permeability: An Artificial Neural Network Model
inferred← citeshttps://doi.org/10.1021/ci600343xopenalex-snapshot
ADME Evaluation in Drug Discovery. 7. Prediction of Oral Absorption by Correlation and Classification
inferred← citeshttps://doi.org/10.1021/ci900384copenalex-snapshot
Insights for Predicting Blood-Brain Barrier Penetration of CNS Targeted Molecules Using QSPR Approaches
inferred← citeshttps://doi.org/10.1021/cr030440jopenalex-snapshot
Modeling Kinetics of Subcellular Disposition of Chemicals
inferred← citeshttps://doi.org/10.1021/jp025984oopenalex-snapshot
A Quantitative Structure−Property Relationship Analysis of logP for Disubstituted Benzenes
inferred← citeshttps://doi.org/10.1021/mp034009uopenalex-snapshot
GSSI, a General Model for Solute−Solvent Interactions. 1. Description of the Model
inferred← citeshttps://doi.org/10.1023/a:1024582008908openalex-snapshot
Predicting drug pharmacokinetic properties using molecular interaction fields and SIMCA
inferred← citeshttps://doi.org/10.1039/9781849734943-00465openalex-snapshot
Medicinal Chemistry Challenges in CNS Drug Discovery
inferred← citeshttps://doi.org/10.1039/d1em00252jopenalex-snapshot
Emerging investigator series: the role of chemical properties in human exposure to environmental chemicals
inferred← citeshttps://doi.org/10.1080/10611860310001648248openalex-snapshot
Classification Analysis of P-Glycoprotein Substrate Specificity
inferred← citeshttps://doi.org/10.1093/mtomcs/mfac096openalex-snapshot
The choice of μ-vinyliminium ligand substituents is key to optimize the antiproliferative activity of related diiron complexes
inferred← citeshttps://doi.org/10.1111/j.1742-7843.2009.00486.xopenalex-snapshot
The Toxicokinetics and Toxicodynamics of Organophosphonatesversusthe Pharmacokinetics and Pharmacodynamics of Oxime Antidotes: Biological Consequences
inferred← citeshttps://doi.org/10.1111/jphp.12783openalex-snapshot
In silico and in vitro prediction of gastrointestinal absorption from potential drug eremantholide C
inferred← citeshttps://doi.org/10.1134/s0036024424700444openalex-snapshot
Comprehensive Computational Analysis of Molecular Properties and Interactions in Bioactive Compounds
inferred← citeshttps://doi.org/10.1201/9780203010822.ch1openalex-snapshot
General Introduction to QSAR
inferred← citeshttps://doi.org/10.1208/s12248-013-9456-8openalex-snapshot
Drug Discovery and Regulatory Considerations for Improving In Silico and In Vitro Predictions that Use Caco-2 as a Surrogate for Human Intestinal Permeability Measurements
inferred← citeshttps://doi.org/10.1208/s12248-025-01059-0openalex-snapshot
GCN-BBB: Deep Learning Blood-Brain Barrier (BBB) Permeability PharmacoAnalytics with Graph Convolutional Neural (GCN) Network
inferred← citeshttps://doi.org/10.1211/jpp.62.06.0011openalex-snapshot
The application of molecular structural predictors of intestinal absorption to screening of compounds for transdermal penetration
inferred← citeshttps://doi.org/10.1371/journal.pone.0166298openalex-snapshot
BioPPSy: An Open-Source Platform for QSAR/QSPR Analysis
inferred← citeshttps://doi.org/10.1504/ijcbdd.2013.052195openalex-snapshot
Analysing molecular polar surface descriptors to predict blood-brain barrier permeation
inferred← citeshttps://doi.org/10.1602/neurorx.2.4.541openalex-snapshot
Medicinal chemical properties of successful central nervous system drugs
inferred← citeshttps://doi.org/10.2147/jir.s303833openalex-snapshot
A Novel NGF Receptor Agonist B355252 Ameliorates Neuronal Loss and Inflammatory Responses in a Rat Model of Cerebral Ischemia
inferred← citeshttps://doi.org/10.2165/00003088-200241110-00005openalex-snapshot
Theoretical Predictions of Drug Absorption in Drug Discovery and Development
inferred← citeshttps://doi.org/10.2174/0929867326666190809221332openalex-snapshot
Phytochemical-Mediated Glioma Targeted Treatment: Drug Resistance and Novel Delivery Systems
inferred← citeshttps://doi.org/10.23860/diss-kirk-riley-2021openalex-snapshot
EVALUATING NATURAL PRODUCT LIBRARIES WITH EMPHASIS ON IN VITRO PERMEABILITY WORKFLOWS
inferred← citeshttps://doi.org/10.2788/94537openalex-snapshot
Review of QSAR Models and Software Tools for predicting Biokinetic Properties
inferred← citeshttps://doi.org/10.3390/antiox8100468openalex-snapshot
Adenosine Derivates as Antioxidant Agents: Synthesis, Characterization, in Vitro Activity, and Theoretical Insights
inferred← citeshttps://doi.org/10.3390/cancers14246258openalex-snapshot
Natural Blockers of PD-1/PD-L1 Interaction for the Immunotherapy of Triple-Negative Breast Cancer-Brain Metastasis
inferred← citeshttps://doi.org/10.3390/ijms232415887openalex-snapshot
Combined Micellar Liquid Chromatography Technique and QSARs Modeling in Predicting the Blood–Brain Barrier Permeation of Heterocyclic Drug-like Compounds
inferred← citeshttps://doi.org/10.3390/ijms9101961openalex-snapshot
Prediction of Human Intestinal Absorption by GA Feature Selection and Support Vector Machine Regression
inferred← citeshttps://doi.org/10.3390/molecules25030487openalex-snapshot
Predicting the Blood-Brain Barrier Permeability of New Drug-Like Compounds via HPLC with Various Stationary Phases
inferred← citeshttps://doi.org/10.3390/molecules25122747openalex-snapshot
Influence of Terpene Type on the Release from an O/W Nanoemulsion: Experimental and Theoretical Studies
inferred← citeshttps://doi.org/10.4018/978-1-6684-7337-5.ch013openalex-snapshot
Computer-Aided Drug Design of Plant-Based Compounds
Editorial review for independent work. ICSAC — the Institute for Complexity
Science and Advanced Computing — runs a structured editorial panel for researchers
publishing outside journals, and publishes on CiteStamp rails. Submission is free
and goes through ORCID: icsacinstitute.org/submit.