On the public citation graph

QSAR Modeling of Human Serum Protein Binding with Several Modeling Techniques Utilizing Structure−Information Representation

0 signed · 174 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.
Claim with ORCID
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 See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.
See reference health

What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/cbdv.200490137openalex-snapshot
No Title
inferredcites →https://doi.org/10.1002/jps.10494openalex-snapshot
Fast Gradient HPLC Method to Determine Compounds Binding to Human Serum Albumin. Relationships with Octanol/Water and Immobilized Artificial Membrane Lipophilicity
inferredcites →https://doi.org/10.1002/jps.20059openalex-snapshot
Computational prediction of the plasma protein‐binding percent of diverse pharmaceutical compounds
inferredcites →https://doi.org/10.1007/978-1-4757-2440-0openalex-snapshot
The Nature of Statistical Learning Theory
inferredcites →https://doi.org/10.1016/b978-0-12-213810-2.x5000-2openalex-snapshot
Genetic Algorithms in Molecular Modeling
inferredcites →https://doi.org/10.1016/j.legalmed.2004.03.003openalex-snapshot
Clarke's Analysis of Drugs and Poisons
inferredcites →https://doi.org/10.1016/s0006-2952(02)01074-2openalex-snapshot
Predicting plasma protein binding of drugs: a new approach
inferredcites →https://doi.org/10.1016/s0022-2275(20)38110-4openalex-snapshot
Composition, concentration, and size of low density lipoproteins and of subfractions of very low density lipoproteins from serum of normal men and women.
inferredcites →https://doi.org/10.1016/s0301-4622(03)00071-1openalex-snapshot
The binding of HIV-1 protease inhibitors to human serum proteins
inferredcites →https://doi.org/10.1021/ci980033mopenalex-snapshot
Novel Variable Selection Quantitative Structure−Property Relationship Approach Based on the k -Nearest-Neighbor Principle
inferredcites →https://doi.org/10.1021/jm010960bopenalex-snapshot
Cheminformatic Models To Predict Binding Affinities to Human Serum Albumin
inferredcites →https://doi.org/10.1021/jm030584qopenalex-snapshot
Application of Predictive QSAR Models to Database Mining: Identification and Experimental Validation of Novel Anticonvulsant Compounds
inferredcites →https://doi.org/10.1023/a:1025305520585openalex-snapshot
Ligand binding to domain-3 of human serum albumin: a chemometric analysis
inferredcites →https://doi.org/10.1038/1869openalex-snapshot
Crystal structure of human serum albumin complexed with fatty acid reveals an asymmetric distribution of binding sites
inferredcites →https://doi.org/10.1038/358215a0openalex-snapshot
A double-sided radio jet from the compact Galactic Centre annihilator 1E1740.7–2942
inferredcites →https://doi.org/10.1046/j.1432-1327.2001.02107.xopenalex-snapshot
High affinity binding of paclitaxel to human serum albumin
inferredcites →https://doi.org/10.1074/jbc.m100575200openalex-snapshot
Crystal Structure Analysis of Warfarin Binding to Human Serum Albumin
inferredcites →https://doi.org/10.1093/mutage/geh043openalex-snapshot
Three new consensus QSAR models for the prediction of Ames genotoxicity
inferredcites →https://doi.org/10.1093/protein/12.6.439openalex-snapshot
Crystal structure of human serum albumin at 2.5 Å resolution
inferredcites →https://doi.org/10.1111/j.2042-7158.1975.tb09463.xopenalex-snapshot
Competition for plasma protein binding sites between phenothiazine tranquillizers and iminodibenzyl antidepressants
inferredcites →https://doi.org/10.1111/j.2042-7158.1975.tb09464.xopenalex-snapshot
The antipseudomonal activity of contact lens solutions
inferredcites →https://doi.org/10.1201/9781420035933openalex-snapshot
Subset Selection in Regression
inferredcites →https://doi.org/10.7164/antibiotics.45.1346openalex-snapshot
Structure-binding relationship and binding sites of cephalosporins in human serum albumin.

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4758162openalex-extracted
Computational Exploration of Small Molecules as Inhibitor Targeting Cytochrome P4502d6
inferred← citeshttps://doi.org/10.1002/0471266949.bmc001.pub2openalex-snapshot
History of Quantitative Structure–Activity Relationships
inferred← citeshttps://doi.org/10.1002/9780470915110.ch2openalex-snapshot
In SilicoADME/Tox Predictions
inferred← citeshttps://doi.org/10.1002/ajoc.202400051openalex-snapshot
Palladium Catalyzed Selective 1,4‐Dihydrosilylation of Alkynones
inferred← citeshttps://doi.org/10.1002/bdd.762openalex-snapshot
Predicting human plasma protein binding of drugs using plasma protein interaction QSAR analysis (PPI‐QSAR)
inferred← citeshttps://doi.org/10.1002/cmdc.200700221openalex-snapshot
A Composite Model for hERG Blockade
inferred← citeshttps://doi.org/10.1002/cmdc.201000355openalex-snapshot
Development of Specific “Drug‐Like Property” Rules for Carboxylate‐Containing Oral Drug Candidates
inferred← citeshttps://doi.org/10.1002/cmdc.201700582openalex-snapshot
In Silico Prediction of Compounds Binding to Human Plasma Proteins by QSAR Models
inferred← citeshttps://doi.org/10.1002/jcc.21190openalex-snapshot
Prediction of human cytochrome P450 2B6‐substrate interactions using hierarchical support vector regression approach
inferred← citeshttps://doi.org/10.1002/jps.21941openalex-snapshot
Nanoparticle design characterized by In Silico preparation parameter prediction using ensemble models
inferred← citeshttps://doi.org/10.1002/jps.23303openalex-snapshot
Quantitative structure—plasma protein binding relationships of acidic drugs
inferred← citeshttps://doi.org/10.1002/minf.201100129openalex-snapshot
Existing and Developing Approaches for QSAR Analysis of Mixtures
inferred← citeshttps://doi.org/10.1002/minf.201700029openalex-snapshot
Comprehensive Network Map of ADME‐Tox Databases
inferred← citeshttps://doi.org/10.1002/minf.70023openalex-snapshot
Read‐Across Structure‐Property Relationship‐Based Superior Prediction of Fraction Unbound in Plasma from Chemical Structure: Interpretable Models with Minimum Descriptors
inferred← citeshttps://doi.org/10.1002/qsar.200810015openalex-snapshot
Identifying hERG Potassium Channel Inhibitors by Machine Learning Methods
inferred← citeshttps://doi.org/10.1002/qsar.200960074openalex-snapshot
Is Feature Selection Essential for ANN Modeling?
inferred← citeshttps://doi.org/10.1007/978-0-387-30440-3_134openalex-snapshot
Drug Design with Artificial Neural Networks
inferred← citeshttps://doi.org/10.1007/978-0-387-30440-3_135openalex-snapshot
Drug Design with Machine Learning
inferred← citeshttps://doi.org/10.1007/978-1-4020-9783-6_10openalex-snapshot
In Silico Approaches for Predicting Adme Properties
inferred← citeshttps://doi.org/10.1007/978-1-4614-3055-1_7openalex-snapshot
In Silico Methods for Toxicity Prediction
inferred← citeshttps://doi.org/10.1007/978-1-62703-059-5_5openalex-snapshot
Classification Models for Safe Drug Molecules
inferred← citeshttps://doi.org/10.1007/978-3-031-76718-0_13openalex-snapshot
Challenges Faced in the Development of Computational Methods for Predicting Pharmacokinetics Behavior
inferred← citeshttps://doi.org/10.1007/978-3-319-56850-8_9openalex-snapshot
QSAR/QSPR Modeling in the Design of Drug Candidates with Balanced Pharmacodynamic and Pharmacokinetic Properties
inferred← citeshttps://doi.org/10.1007/978-3-642-25240-2_45openalex-snapshot
In-Silico ADME Modeling
inferred← citeshttps://doi.org/10.1007/s00044-022-02977-wopenalex-snapshot
Enhanced biological activity of Curcumin Cinnamates: an experimental and computational analysis
inferred← citeshttps://doi.org/10.1007/s00204-024-03764-9openalex-snapshot
Systematic evaluation of high-throughput PBK modelling strategies for the prediction of intravenous and oral pharmacokinetics in humans
inferred← citeshttps://doi.org/10.1007/s00216-007-1351-7openalex-snapshot
Determination of drug–serum protein interactions via fluorescence polarization measurements
inferred← citeshttps://doi.org/10.1007/s00894-009-0612-0openalex-snapshot
Characterization of the binding of angiotensin II receptor blockers to human serum albumin using docking and molecular dynamics simulation
inferred← citeshttps://doi.org/10.1007/s10847-017-0773-xopenalex-snapshot
Designing of calixarene based drug carrier for dasatinib, lapatinib and nilotinib using multilevel molecular docking and dynamics simulations
inferred← citeshttps://doi.org/10.1007/s11030-018-9825-4openalex-snapshot
Probing the opportunities for designing anthelmintic leads by sub-structural topology-based QSAR modelling
inferred← citeshttps://doi.org/10.1007/s11095-007-9285-5openalex-snapshot
A Cheminformatic Toolkit for Mining Biomedical Knowledge
inferred← citeshttps://doi.org/10.1007/s11095-008-9609-0openalex-snapshot
QSAR Modeling of the Blood–Brain Barrier Permeability for Diverse Organic Compounds
inferred← citeshttps://doi.org/10.1007/s11095-013-1023-6openalex-snapshot
The Use of Pseudo-Equilibrium Constant Affords Improved QSAR Models of Human Plasma Protein Binding
inferred← citeshttps://doi.org/10.1007/s11095-013-1222-1openalex-snapshot
Critical Evaluation of Human Oral Bioavailability for Pharmaceutical Drugs by Using Various Cheminformatics Approaches
inferred← citeshttps://doi.org/10.1007/s11095-018-2561-8openalex-snapshot
QSAR Development for Plasma Protein Binding: Influence of the Ionization State
inferred← citeshttps://doi.org/10.1007/s11095-024-03725-yopenalex-snapshot
A Combination of Machine Learning and PBPK Modeling Approach for Pharmacokinetics Prediction of Small Molecules in Humans
inferred← citeshttps://doi.org/10.1007/s13596-025-00821-1openalex-snapshot
In-vitro and in-silico analysis of phytoconstituents of Enhydra fluctuans as an antidiabetic agent
inferred← citeshttps://doi.org/10.1007/springerreference_60306openalex-snapshot
Drug Design with Artificial Neural Networks
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00151-6openalex-snapshot
In Silico Prediction of Plasma and Tissue Protein Binding
inferred← citeshttps://doi.org/10.1016/b978-0-08-100098-4.00005-3openalex-snapshot
Quantitative Structure–Activity Relationships
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.10978-3openalex-snapshot
In Silico Prediction of Plasma and Tissue Protein Binding
inferred← citeshttps://doi.org/10.1016/b978-0-443-29808-0.00022-4openalex-snapshot
PKPD modeling and in silico models
inferred← citeshttps://doi.org/10.1016/b978-0-443-30010-3.00012-xopenalex-snapshot
Application of machine learning and artificial intelligence methods in predictions of absorption, distribution, metabolism, and excretion properties of chemicals
inferred← citeshttps://doi.org/10.1016/b978-0-443-34059-8.00018-xopenalex-snapshot
Artificial intelligence in the discovery of new antibiotics
inferred← citeshttps://doi.org/10.1016/j.addr.2015.03.011openalex-snapshot
In vitro, in silico and integrated strategies for the estimation of plasma protein binding. A review
inferred← citeshttps://doi.org/10.1016/j.bioorg.2021.104913openalex-snapshot
Discovery of 5-(or 6)-benzoxazoles and oxazolo[4,5-b]pyridines as novel candidate antitumor agents targeting hTopo IIα
inferred← citeshttps://doi.org/10.1016/j.bmc.2009.04.007openalex-snapshot
Clobenpropit analogs as dual activity ligands for the histamine H3 and H4 receptors: Synthesis, pharmacological evaluation, and cross-target QSAR studies
inferred← citeshttps://doi.org/10.1016/j.bmc.2010.08.034openalex-snapshot
Quantitative structure–activity relationship studies of threo-methylphenidate analogs
inferred← citeshttps://doi.org/10.1016/j.bmc.2010.08.052openalex-snapshot
A combined spectroscopic and crystallographic approach to probing drug–human serum albumin interactions
inferred← citeshttps://doi.org/10.1016/j.chemolab.2015.06.016openalex-snapshot
Chemometrics tools in QSAR/QSPR studies: A historical perspective
inferred← citeshttps://doi.org/10.1016/j.chemolab.2017.09.005openalex-snapshot
ADME properties evaluation in drug discovery: Prediction of plasma protein binding using NSGA-II combining PLS and consensus modeling
inferred← citeshttps://doi.org/10.1016/j.chemolab.2020.103962openalex-snapshot
A novel strategy for prediction of human plasma protein binding using machine learning techniques
inferred← citeshttps://doi.org/10.1016/j.chroma.2009.01.022openalex-snapshot
Automated polyvinylidene difluoride hollow fiber liquid-phase microextraction of flunitrazepam in plasma and urine samples for gas chromatography/tandem mass spectrometry
inferred← citeshttps://doi.org/10.1016/j.compbiomed.2011.08.009openalex-snapshot
A prediction model of substrates and non-substrates of breast cancer resistance protein (BCRP) developed by GA–CG–SVM method
inferred← citeshttps://doi.org/10.1016/j.comtox.2020.100136openalex-snapshot
Using chemical structure information to develop predictive models for in vitro toxicokinetic parameters to inform high-throughput risk-assessment
inferred← citeshttps://doi.org/10.1016/j.comtox.2020.100142openalex-snapshot
Evaluation of quantitative structure property relationship algorithms for predicting plasma protein binding in humans
inferred← citeshttps://doi.org/10.1016/j.ejps.2017.07.027openalex-snapshot
Melanin binding study of clinical drugs with cassette dosing and rapid equilibrium dialysis inserts
inferred← citeshttps://doi.org/10.1016/j.ejps.2024.106946openalex-snapshot
The state-of-the-art machine learning model for plasma protein binding prediction: Computational modeling with OCHEM and experimental validation
inferred← citeshttps://doi.org/10.1016/j.envpol.2025.125843openalex-snapshot
Screening of estrogen receptor activity of per- and polyfluoroalkyl substances based on deep learning and in vivo assessment
inferred← citeshttps://doi.org/10.1016/j.insi.2026.100626openalex-snapshot
Molecular docking, network pharmacology and in-vitro antioxidant and antidiabetic potential of Corchorus capsularis by targeting α-amylase and α-glucosidase
inferred← citeshttps://doi.org/10.1016/j.jasms.2009.06.002openalex-snapshot
CE 50 : Quantifying collision induced dissociation energy for small molecule characterization and identification
inferred← citeshttps://doi.org/10.1016/j.jconrel.2007.05.006openalex-snapshot
Formulation development of transdermal dosage forms: Quantitative structure-activity relationship model for predicting activities of terpenes that enhance drug penetration through human skin
inferred← citeshttps://doi.org/10.1016/j.jmgm.2008.01.002openalex-snapshot
The importance of the domain of applicability in QSAR modeling
inferred← citeshttps://doi.org/10.1016/j.jmgm.2011.11.003openalex-snapshot
Results of molecular docking as descriptors to predict human serum albumin binding affinity
inferred← citeshttps://doi.org/10.1016/j.jpba.2008.03.023openalex-snapshot
Prediction models of human plasma protein binding rate and oral bioavailability derived by using GA–CG–SVM method
inferred← citeshttps://doi.org/10.1016/j.molliq.2017.09.113openalex-snapshot
Theoretical assessment of calix[ n ]arene as drug carriers for second generation tyrosine kinase inhibitors
inferred← citeshttps://doi.org/10.1016/j.molliq.2018.07.029openalex-snapshot
Deciphering the anthelmintic activity of benzimidazolium salts by experimental and in-silico studies
inferred← citeshttps://doi.org/10.1016/j.mtcomm.2024.111089openalex-snapshot
ML-based Read-Across Structure-Property Relationship (RASPR) strategy for predicting protein resistance of self-assembled monolayers (SAMs) as anti-biofouling materials
inferred← citeshttps://doi.org/10.1016/j.tox.2022.153111openalex-snapshot
Skin sensitization quantitative QSAR models based on mechanistic structural alerts
inferred← citeshttps://doi.org/10.1016/s0065-7743(07)42029-2openalex-snapshot
Chapter 29 Computational Models for ADME
inferred← citeshttps://doi.org/10.1016/s0065-7743(07)42031-0openalex-snapshot
Chapter 31 Plasma Protein Binding and the Free Drug Principle: Recent Developments and Applications
inferred← citeshttps://doi.org/10.1017/cbo9780511730412.013openalex-snapshot
Predicting ADME properties in drug discovery
inferred← citeshttps://doi.org/10.1021/acs.chemrev.8b00728openalex-snapshot
Concepts of Artificial Intelligence for Computer-Assisted Drug Discovery
inferred← citeshttps://doi.org/10.1021/acs.est.0c06117openalex-snapshot
Designing QSARs for Parameters of High-Throughput Toxicokinetic Models Using Open-Source Descriptors
inferred← citeshttps://doi.org/10.1021/acs.est.2c04400openalex-snapshot
Investigation of the Binding Fraction of PFAS in Human Plasma and Underlying Mechanisms Based on Machine Learning and Molecular Dynamics Simulation
inferred← citeshttps://doi.org/10.1021/acs.jafc.4c01942openalex-snapshot
Isolation, Virtual Screening, and Evaluation of Hazelnut-Derived Immunoactive Peptides for the Inhibition of SARS-CoV-2 Main Protease
inferred← citeshttps://doi.org/10.1021/acs.jcim.0c01344openalex-snapshot
Coloring Molecules with Explainable Artificial Intelligence for Preclinical Relevance Assessment
inferred← citeshttps://doi.org/10.1021/acs.jcim.2c00297openalex-snapshot
IDL-PPBopt: A Strategy for Prediction and Optimization of Human Plasma Protein Binding of Compounds via an Interpretable Deep Learning Method
inferred← citeshttps://doi.org/10.1021/acs.jcim.3c01280openalex-snapshot
Attention Mechanism-Based Graph Neural Network Model for Effective Activity Prediction of SARS-CoV-2 Main Protease Inhibitors: Application to Drug Repurposing as Potential COVID-19 Therapy
inferred← citeshttps://doi.org/10.1021/acs.jcim.5c03060openalex-snapshot
Development, Evaluation and Application of a Multi-Representation Fusion Model for Accurate Prediction of Per- and Polyfluoroalkyl Substance (PFAS) Binding to Plasma Proteins
inferred← citeshttps://doi.org/10.1021/acs.jcim.6b00277openalex-snapshot
Beware of Unreliable Q2! A Comparative Study of Regression Metrics for Predictivity Assessment of QSAR Models
inferred← citeshttps://doi.org/10.1021/acs.jcim.6b00291openalex-snapshot
Informing the Human Plasma Protein Binding of Environmental Chemicals by Machine Learning in the Pharmaceutical Space: Applicability Domain and Limits of Predictability
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.6c00049openalex-snapshot
In Silico ADMET: From Current Practices to Novel Profilers
inferred← citeshttps://doi.org/10.1021/acs.molpharmaceut.3c00129openalex-snapshot
Descriptor-Free Deep Learning QSAR Model for the Fraction Unbound in Human Plasma
inferred← citeshttps://doi.org/10.1021/acs.molpharmaceut.8b00038openalex-snapshot
Binding of Small Molecule Drugs to Porcine Vitreous Humor
inferred← citeshttps://doi.org/10.1021/acs.molpharmaceut.8b00785openalex-snapshot
Predicting Fraction Unbound in Human Plasma from Chemical Structure: Improved Accuracy in the Low Value Ranges
inferred← citeshttps://doi.org/10.1021/acs.molpharmaceut.8b00816openalex-snapshot
An Integrated Transfer Learning and Multitask Learning Approach for Pharmacokinetic Parameter Prediction
inferred← citeshttps://doi.org/10.1021/acs.molpharmaceut.8b01143openalex-snapshot
Development of Simplified in Vitro P-Glycoprotein Substrate Assay and in Silico Prediction Models To Evaluate Transport Potential of P-Glycoprotein
inferred← citeshttps://doi.org/10.1021/acsomega.0c05846openalex-snapshot
In Silico Prediction of Fraction Unbound in Human Plasma from Chemical Fingerprint Using Automated Machine Learning
inferred← citeshttps://doi.org/10.1021/ci200123yopenalex-snapshot
Statistical Analysis and Compound Selection of Combinatorial Libraries for Soluble Epoxide Hydrolase
inferred← citeshttps://doi.org/10.1021/ci600563wopenalex-snapshot
Ensemble Feature Selection: Consistent Descriptor Subsets for Multiple QSAR Models
inferred← citeshttps://doi.org/10.1021/ci800143nopenalex-snapshot
Global Bayesian Models for the Prioritization of Antitubercular Agents
inferred← citeshttps://doi.org/10.1021/ci800318qopenalex-snapshot
Sharpening the Toolbox of Computational Chemistry: A New Approximation of CriticalF-Values for Multiple Linear Regression
inferred← citeshttps://doi.org/10.1021/ci800366fopenalex-snapshot
Novel Inhibitors of Human Histone Deacetylase (HDAC) Identified by QSAR Modeling of Known Inhibitors, Virtual Screening, and Experimental Validation
inferred← citeshttps://doi.org/10.1021/ci9000162openalex-snapshot
Prediction of HPLC Retention Index Using Artificial Neural Networks and IGroup E-State Indices
inferred← citeshttps://doi.org/10.1021/jp311238nopenalex-snapshot
Binding of Hydroxyquinoline Probes to Human Serum Albumin: Combining Molecular Modeling and Förster’s Resonance Energy Transfer Spectroscopy to Understand Flexible Ligand Binding
inferred← citeshttps://doi.org/10.1021/ml2000559openalex-snapshot
Quantification of Interactions between Serum Albumin and Endogenous Free Fatty Acids or Exogenous Chemicals by Stable Isotope-Coded Mass Spectrometry
inferred← citeshttps://doi.org/10.1039/9781782622376-00053openalex-snapshot
Models for Nonspecific Binding and Partitioning
inferred← citeshttps://doi.org/10.1039/9781849732093-00531openalex-snapshot
Toxicokinetic Considerations in Predicting Toxicity
inferred← citeshttps://doi.org/10.1039/c9nj05594kopenalex-snapshot
Computational prediction of interaction and pharmacokinetics profile study for polyamino-polycarboxylic ligands on binding with human serum albumin
inferred← citeshttps://doi.org/10.1039/d1np00016kopenalex-snapshot
Predicting biochemical and physiological effects of natural products from molecular structures using machine learning
inferred← citeshttps://doi.org/10.1080/07391102.2017.1329096openalex-snapshot
Experimental and computational studies on the binding of diazinon to human serum albumin
inferred← citeshttps://doi.org/10.1080/07391102.2019.1699862openalex-snapshot
Design potential selective inhibitors for human leukocyte common antigen-related (PTP-LAR) with fragment replace approach
inferred← citeshttps://doi.org/10.1080/07391102.2020.1726817openalex-snapshot
Design, synthesis, biological evaluation, common feature pharmacophore model and molecular dynamics simulation studies of ethyl 4-(phenoxymethyl)-2-phenylthiazole-5-carboxylate as Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2) inhibitors
inferred← citeshttps://doi.org/10.1080/1062936x.2010.548351openalex-snapshot
QSARs for PBPK modelling of environmental contaminants
inferred← citeshttps://doi.org/10.1080/1062936x.2015.1133700openalex-snapshot
Predicting binding affinities of diverse pharmaceutical chemicals to human serum plasma proteins using QSPR modelling approaches
inferred← citeshttps://doi.org/10.1080/1062936x.2017.1423376openalex-snapshot
Molecular activity prediction by means of supervised subspace projection based ensembles of classifiers
inferred← citeshttps://doi.org/10.1080/1062936x.2020.1772365openalex-snapshot
Comparison of statistical methods for predicting penetration capacity of drugs into human breast milk using physicochemical, pharmacokinetic and chromatographic descriptors
inferred← citeshttps://doi.org/10.1080/1062936x.2024.2415602openalex-snapshot
Exploring molecular fragments for fraction unbound in human plasma of chemicals: a fragment-based cheminformatics approach
inferred← citeshttps://doi.org/10.1080/10659360600787551openalex-snapshot
A model validation and consensus building environment
inferred← citeshttps://doi.org/10.1080/17425255.2017.1316449openalex-snapshot
Characterisation of data resources forin silicomodelling: benchmark datasets for ADME properties
inferred← citeshttps://doi.org/10.1089/jop.2018.0138openalex-snapshot
ISOPT Clinical Hot Topic Panel Discussion on Ocular Drug Delivery
inferred← citeshttps://doi.org/10.1093/bioinformatics/btac342openalex-snapshot
HelixADMET: a robust and endpoint extensible ADMET system incorporating self-supervised knowledge transfer
inferred← citeshttps://doi.org/10.1109/iicai70155.2026.11620912openalex-snapshot
Predicting Plasma Protein Binding (Fraction Unbound) with Machine Learning Using Molecular Descriptors
inferred← citeshttps://doi.org/10.1111/j.1745-7254.2008.00746.xopenalex-snapshot
Modeling resistance index of taxoids to MCF-7 cell lines using ANN together with electrotopological state descriptors
inferred← citeshttps://doi.org/10.1124/dmd.111.040394openalex-snapshot
Effects of Omeprazole and Genetic Polymorphism of CYP2C19 on the Clopidogrel Active Metabolite
inferred← citeshttps://doi.org/10.1142/s2737416522500302openalex-snapshot
IMPDB: Indian Medicinal Phytochemical Database Curated for Drug Designing
inferred← citeshttps://doi.org/10.1146/annurev-chembioeng-060816-101404openalex-snapshot
Driving Forces for Nonnative Protein Aggregation and Approaches to Predict Aggregation-Prone Regions
inferred← citeshttps://doi.org/10.1186/s12859-018-2529-zopenalex-snapshot
Computational prediction of plasma protein binding of cyclic peptides from small molecule experimental data using sparse modeling techniques
inferred← citeshttps://doi.org/10.1186/s13321-024-00931-zopenalex-snapshot
Comprehensive benchmarking of computational tools for predicting toxicokinetic and physicochemical properties of chemicals
inferred← citeshttps://doi.org/10.1371/journal.pone.0093323openalex-snapshot
A Structure-Based Model for Predicting Serum Albumin Binding
inferred← citeshttps://doi.org/10.1517/17425250902753261openalex-snapshot
The use of machine learning and nonlinear statistical tools for ADME prediction
inferred← citeshttps://doi.org/10.1517/17425255.2011.537257openalex-snapshot
Quantitative structure–pharmacokinetic relationships
inferred← citeshttps://doi.org/10.1517/17425255.2011.602066openalex-snapshot
Challenges for computational structure–activity modelling for predicting chemical toxicity: future improvements?
inferred← citeshttps://doi.org/10.1517/17460441.2013.777424openalex-snapshot
In silicoprediction of human serum albumin binding for drug leads
inferred← citeshttps://doi.org/10.18433/j33633openalex-snapshot
Quantitative Structure – Pharmacokinetics Relationships for Plasma Protein Binding of Basic Drugs
inferred← citeshttps://doi.org/10.18632/oncotarget.16595openalex-snapshot
Synthesis, bioactivity, 3D-QSAR studies of novel dibenzofuran derivatives as PTP-MEG2 inhibitors
inferred← citeshttps://doi.org/10.18632/oncotarget.16600openalex-snapshot
The design of novel inhibitors for treating cancer by targeting CDC25B through disruption of CDC25B-CDK2/Cyclin A interaction using computational approaches
inferred← citeshttps://doi.org/10.2174/0115680266333084240918051716openalex-snapshot
Identification of Novel Tyrosinase Inhibitors with Nanomolar Potency Using Virtual Screening Approaches
inferred← citeshttps://doi.org/10.2174/0929867324666161118115711openalex-snapshot
Human Serum Albumin as Chiral Selector in Enantioselective High-Performance Liquid Chromatography
inferred← citeshttps://doi.org/10.2174/1381612821666150302113710openalex-snapshot
Studies on Drug – Human Serum Albumin Binding: The Current State of the Matter
inferred← citeshttps://doi.org/10.2174/1381612821666150304163447openalex-snapshot
Understanding the Physical and Chemical Nature of the Warfarin Drug Binding Site in Human Serum Albumin: Experimental and Theoretical Studies
inferred← citeshttps://doi.org/10.2174/1568026611212240005openalex-snapshot
Abelson Tyrosine-Protein Kinase 1 as Principal Target for Drug Discovery Against Leukemias. Role of the Current Computer-Aided Drug Design Methodologies
inferred← citeshttps://doi.org/10.2174/1568026614666140929115506openalex-snapshot
Revisiting De Novo Drug Design: Receptor Based Pharmacophore Screening
inferred← citeshttps://doi.org/10.2174/1568026619666181220105726openalex-snapshot
Molecular Modeling Approaches for the Prediction of Selected Pharmacokinetic Properties
inferred← citeshttps://doi.org/10.2174/157340909789054702openalex-snapshot
Recent Studies of QSAR on Inhibitors of Estrogen Receptor and Human Eosinophil Phosphodiesterase
inferred← citeshttps://doi.org/10.22159/ijpps.2018v10i4.24612openalex-snapshot
QUANTITATIVE STRUCTURE–PHARMACOKINETICS RELATIONSHIP FOR PLASMA PROTEIN BINDING OF NEUTRAL DRUGS
inferred← citeshttps://doi.org/10.2788/94537openalex-snapshot
Review of QSAR Models and Software Tools for predicting Biokinetic Properties
inferred← citeshttps://doi.org/10.3168/jds.2024-24887openalex-snapshot
Machine learning methods for unveiling the potential of antioxidant short peptides in goat milk-derived proteins during in vitro gastrointestinal digestion
inferred← citeshttps://doi.org/10.3390/chemistry8030037openalex-snapshot
In Silico Identification of Hit Compound to Counteract A-Series Nerve Agents Poisoning
inferred← citeshttps://doi.org/10.3390/ijms24031815openalex-snapshot
Recent Studies of Artificial Intelligence on In Silico Drug Distribution Prediction
inferred← citeshttps://doi.org/10.3390/pharmaceutics15112619openalex-snapshot
The Trends and Future Prospective of In Silico Models from the Viewpoint of ADME Evaluation in Drug Discovery
inferred← citeshttps://doi.org/10.3390/pharmaceutics16080978openalex-snapshot
Advances in Modeling Approaches for Oral Drug Delivery: Artificial Intelligence, Physiologically-Based Pharmacokinetics, and First-Principles Models
inferred← citeshttps://doi.org/10.3390/pharmaceutics17030308openalex-snapshot
Refined ADME Profiles for ATC Drug Classes
inferred← citeshttps://doi.org/10.3390/toxics13110903openalex-snapshot
Molecular Determinants of Per- and Polyfluoroalkyl Substances Binding to Estrogen Receptors
inferred← citeshttps://doi.org/10.4018/978-1-5225-7326-5.ch008openalex-snapshot
Molecular Modelling Studies of Novel COX-2 Inhibitors
inferred← citeshttps://doi.org/10.5681/bi.2013.011openalex-snapshot
QSAR Models for the Prediction of Plasma Protein Binding
inferred← citeshttps://doi.org/10.59400/jts3197openalex-snapshot
Emerging contaminants in Colombian water sources and their oncological risk: A QSAR modeling approach
inferred← citeshttps://doi.org/10.70675/562e0758zcff7z49c4za806z3dded388daa0openalex-snapshot
Développement d'une plateforme de prédiction in silico des propriétés ADME-Tox
inferred← citeshttps://doi.org/10.70675/b9dba6ccz7705z4da9zbc0czfb5f99be8d9bopenalex-snapshot
Evaluation des paramètres toxicocinétiques des analogues de bisphénols : développement d'approches de type Relation Quantitative Structure-Activité (QSAR)
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.