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Insights for Predicting Blood-Brain Barrier Penetration of CNS Targeted Molecules Using QSPR Approaches
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Transport of small molecules through the blood-brain barrier: biology and methodology
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In silico ADME modelling: prediction models for blood–brain barrier permeation using a systematic variable selection method
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Correlation of blood–brain penetration using structural descriptors
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Computational approaches to the prediction of the blood–brain distribution
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A simple model to predict blood–brain barrier permeation from 3D molecular fields
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Physicochemical analysis of the factors governing distribution of solutes between blood and brain
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In silico prediction of blood–brain barrier permeation
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Log(BB), PS products and in silico models of drug brain penetration
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Blood-Brain Barrier Permeation Models: Discriminating between Potential CNS and Non-CNS Drugs Including P-Glycoprotein Substrates
inferredcites →https://doi.org/10.1021/ci050135uopenalex-snapshot
Effect of Selection of Molecular Descriptors on the Prediction of Blood−Brain Barrier Penetrating and Nonpenetrating Agents by Statistical Learning Methods
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In Silico Prediction of Blood Brain Barrier Permeability: An Artificial Neural Network Model
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Predicting Penetration Across the Blood-Brain Barrier from Simple Descriptors and Fragmentation Schemes
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Significance Analysis and Multiple Pharmacophore Models for Differentiating P-Glycoprotein Substrates
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Prediction of the Brain−Blood Distribution of a Large Set of Drugs from Structurally Derived Descriptors Using Partial Least-Squares (PLS) Modeling
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The E-State as the Basis for Molecular Structure Space Definition and Structure Similarity
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Prediction of Properties from Simulations: Free Energies of Solvation in Hexadecane, Octanol, and Water
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Receptor Surface Models. 1. Definition and Construction
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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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Virtual Screening Workflow Development Guided by the “Receiver Operating Characteristic” Curve Approach. Application to High-Throughput Docking on Metabotropic Glutamate Receptor Subtype 4
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Generation of a Set of Simple, Interpretable ADMET Rules of Thumb
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Computation of Brain−Blood Partitioning of Organic Solutes via Free Energy Calculations
inferredcites →https://doi.org/10.1021/jm970786kopenalex-snapshot
Molecular Modeling of Phenothiazines and Related Drugs As Multidrug Resistance Modifiers: A Comparative Molecular Field Analysis Study
inferredcites →https://doi.org/10.1021/jm990017wopenalex-snapshot
Designing Libraries with CNS Activity
inferredcites →https://doi.org/10.1021/jm990968+openalex-snapshot
Predicting Blood−Brain Barrier Permeation from Three-Dimensional Molecular Structure
inferredcites →https://doi.org/10.1021/js980402topenalex-snapshot
Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 2. Prediction of blood–brain barrier penetration
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/10.1023/a:1020792909928openalex-snapshot
Predicting Blood–Brain Barrier Partitioning of Organic Molecules Using Membrane–Interaction QSAR Analysis
inferredcites →https://doi.org/10.1074/jbc.m414331200openalex-snapshot
Compounds That Bind APP and Inhibit Aβ Processing in Vitro Suggest a Novel Approach to Alzheimer Disease Therapeutics
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Simple Method of Calculating Octanol/Water Partition Coefficient.
inferredcites →https://doi.org/10.1517/17460441.3.6.677openalex-snapshot
Strategies to assess blood–brain barrier penetration
inferredcites →https://doi.org/10.2174/0929867053764644openalex-snapshot
Therapeutic Opportunities in Alzheimer Disease: One for all or all for One?
inferredcites →https://doi.org/10.2174/138920008786485056openalex-snapshot
Permeability – In Vitro Assays for Assessing Drug Transporter Activity
inferredcites →https://doi.org/10.2174/1568026013395100openalex-snapshot
Physicochemical Profiling (Solubility, Permeability and Charge State)
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Inhibition of BACE, a Promising Approach to Alzheimers Disease Therapy
inferredcites →https://doi.org/10.2174/157340909788451892openalex-snapshot
Computational Models for Central Nervous System Penetration
inferredcites →https://doi.org/10.3109/10611869808997889openalex-snapshot
Estimation of Blood-Brain Barrier Crossing of Drugs Using Molecular Size and Shape, and H-Bonding Descriptors
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IMAGE-GUIDED SYNTHESIS REVEALS POTENT BLOOD-BRAIN BARRIER PERMEABLE HISTONE DEACETYLASE INHIBITORS
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