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Constructing Optimum Blood Brain Barrier QSAR Models Using a Combination of 4D-Molecular Similarity Measures and Cluster Analysis

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What this work says

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

inferredcites →https://doi.org/10.1002/9780470316801openalex-snapshot

Finding Groups in Data

inferredcites →https://doi.org/10.1016/s0223-5234(01)01269-7openalex-snapshot

Correlation and prediction of a large blood–brain distribution data set—an LFER study

inferredcites →https://doi.org/10.1021/ci000043zopenalex-snapshot

High-Throughput Prediction of Blood−Brain Partitioning: A Thermodynamic Approach

inferredcites →https://doi.org/10.1021/ci00010a010openalex-snapshot

Clustering of chemical structures on the basis of two-dimensional similarity measures

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Predicting Caco-2 Cell Permeation Coefficients of Organic Molecules Using Membrane-Interaction QSAR Analysis

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Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties

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Predicting Blood−Brain Barrier Permeation from Three-Dimensional Molecular Structure

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Theoretical Calculation and Prediction of Brain–Blood Partitioning of Organic Solutes Using MolSurf Parametrization and PLS Statistics

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A New Look at Lipid-Membrane Structure in Relation to Drug Research

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Predicting Blood–Brain Barrier Partitioning of Organic Molecules Using Membrane–Interaction QSAR Analysis

inferredcites →https://doi.org/10.1038/scientificamerican0986-74openalex-snapshot

The Blood-Brain Barrier

inferredcites →https://doi.org/10.1046/j.1471-4159.1998.70051781.xopenalex-snapshot

CNS Drug Design Based on Principles of Blood‐Brain Barrier Transport

inferredcites →https://doi.org/10.2307/2346830openalex-snapshot

Algorithm AS 136: A K-Means Clustering Algorithm

What points at this work

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

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/10.1002/9783527611225.ch18openalex-snapshot

In Silico Prediction Models for Blood‐Brain Barrier Permeation

inferred← citeshttps://doi.org/10.1002/adma.201801362openalex-snapshot

Overcoming the Blood–Brain Barrier: The Role of Nanomaterials in Treating Neurological Diseases

inferred← citeshttps://doi.org/10.1002/chin.200507228openalex-snapshot

Construction Optimum Blood Brain Barrier QSAR Models Using a Combination of 4D‐Molecular Similarity Measures and Cluster Analysis.

inferred← citeshttps://doi.org/10.1002/jps.20595openalex-snapshot

A data base for partition of volatile organic compounds and drugs from blood/plasma/serum to brain, and an LFER analysis of the data

inferred← citeshttps://doi.org/10.1002/jps.21086openalex-snapshot

Combined 4D‐Fingerprint and Clustering Based Membrane‐Interaction QSAR Analyses for Constructing Consensus Caco‐2 Cell Permeation Virtual Screens

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/minf.201400118openalex-snapshot

Towards Better BBB Passage Prediction Using an Extensive and Curated Data Set

inferred← citeshttps://doi.org/10.1002/qsar.200510200openalex-snapshot

CNS Permeability of Drugs Predicted by a Decision Tree

inferred← citeshttps://doi.org/10.1007/978-1-62703-050-2_14openalex-snapshot

Prediction of Pharmacokinetic Parameters

inferred← citeshttps://doi.org/10.1007/978-81-322-2205-7_42openalex-snapshot

Prediction of Blood Brain Barrier Permeability of Ligands Using Sequential Floating Forward Selection and Support Vector Machine

inferred← citeshttps://doi.org/10.1007/s10822-008-9190-yopenalex-snapshot

Categorical QSAR models for skin sensitization based on local lymph node assay measures and both ground and excited state 4D-fingerprint descriptors

inferred← citeshttps://doi.org/10.1007/s10822-013-9637-7openalex-snapshot

QSAR model based on weighted MCS trees approach for the representation of molecule data sets

inferred← citeshttps://doi.org/10.1007/s11030-021-10238-yopenalex-snapshot

Development and validation of consensus machine learning-based models for the prediction of novel small molecules as potential anti-tubercular agents

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QSAR Modeling of the Blood–Brain Barrier Permeability for Diverse Organic Compounds

inferred← citeshttps://doi.org/10.1007/s12539-013-0158-9openalex-snapshot

Can we predict blood brain barrier permeability of ligands using computational approaches?

inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00142-5openalex-snapshot

Molecular Fields to Assess Recognition Forces and Property Spaces

inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00146-2openalex-snapshot

In Silico Models to Predict Brain Uptake

inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12659-9openalex-snapshot

Molecular Fields to Assess Recognition Forces and Property Spaces☆

inferred← citeshttps://doi.org/10.1016/b978-1-78548-288-5.50014-7openalex-snapshot

Bibliography

inferred← citeshttps://doi.org/10.1016/j.bmc.2005.11.009openalex-snapshot

Effect of cholesterol on DMPC phospholipid membranes and QSAR model construction in membrane-interaction QSAR study through molecular dynamics simulation

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.bmc.2016.09.002openalex-snapshot

Design and synthesis of triarylacrylonitrile analogues of tamoxifen with improved binding selectivity to protein kinase C

inferred← citeshttps://doi.org/10.1016/j.chemolab.2010.06.008openalex-snapshot

Automatic feature subset selection for decision tree-based ensemble methods in the prediction of bioactivity

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.jpba.2015.01.046openalex-snapshot

Blood–brain barrier permeability mechanisms in view of quantitative structure–activity relationships (QSAR)

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/s0065-7743(05)40026-3openalex-snapshot

Computational Prediction of Blood-brain Barrier Permeation

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/ci060064eopenalex-snapshot

Local Lazy Regression: Making Use of the Neighborhood to Improve QSAR Predictions

inferred← citeshttps://doi.org/10.1021/ci300124copenalex-snapshot

A Bayesian Approach to in Silico Blood-Brain Barrier Penetration Modeling

inferred← citeshttps://doi.org/10.1021/ci5003872openalex-snapshot

Application of the 4D Fingerprint Method with a Robust Scoring Function for Scaffold-Hopping and Drug Repurposing Strategies

inferred← citeshttps://doi.org/10.1021/ci700100fopenalex-snapshot

Benchmarking of QSAR Models for Blood-Brain Barrier Permeation

inferred← citeshttps://doi.org/10.1021/mp800175kopenalex-snapshot

Nitroxyl Radicals for Labeling of Conventional Therapeutics and Noninvasive Magnetic Resonance Imaging of Their Permeability for Blood−Brain Barrier: Relationship between Structure, Blood Clearance, and MRI Signal Dynamic in the Brain

inferred← citeshttps://doi.org/10.1038/s41467-024-50076-8openalex-snapshot

Benzoxazole-derivatives enhance progranulin expression and reverse the aberrant lysosomal proteome caused by GRN haploinsufficiency

inferred← citeshttps://doi.org/10.1039/b816878dopenalex-snapshot

Nitroxyl radicals as low toxic spin-labels for non-invasive magnetic resonance imaging of blood–brain barrier permeability for conventional therapeutics

inferred← citeshttps://doi.org/10.1080/17460441.2019.1664467openalex-snapshot

4D- quantitative structure–activity relationship modeling: making a comeback

inferred← citeshttps://doi.org/10.1093/toxsci/kfad007openalex-snapshot

Considering developmental neurotoxicityin vitrodata for human health risk assessment using physiologically-based kinetic modeling: deltamethrin case study

inferred← citeshttps://doi.org/10.11606/t.76.2011.tde-19102011-141448openalex-snapshot

Modelagem >i /i< de propriedades farmacocinéticas para a avaliação de candidatos a novos fármacos

inferred← citeshttps://doi.org/10.1602/neurorx.2.4.541openalex-snapshot

Medicinal chemical properties of successful central nervous system drugs

inferred← citeshttps://doi.org/10.2174/0929867043365071openalex-snapshot

In Silico Prediction Models for Blood-Brain Barrier Permeation

inferred← citeshttps://doi.org/10.2174/092986709787002817openalex-snapshot

Topological Polar Surface Area: A Useful Descriptor in 2D-QSAR

inferred← citeshttps://doi.org/10.2788/94537openalex-snapshot

Review of QSAR Models and Software Tools for predicting Biokinetic Properties

inferred← citeshttps://doi.org/10.3329/dujps.v13i1.21854openalex-snapshot

Prediction of blood-brain barrier penetration of meta-/para-Alkoxyphenylcarbamic acid Esters bearing substituted N-Phenylpiperazine fragment

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/molecules15053281openalex-snapshot

4D-QSAR: Perspectives in Drug Design

inferred← citeshttps://doi.org/10.35537/10915/2353openalex-snapshot

Screening virtual basado en topología molecular: una nueva metodología en el descubrimiento de agentes anticonvulsivos

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