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Modeling Blood-Brain Barrier Partitioning Using the Electrotopological State
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Topological Indices and Related Descriptors in QSAR and QSPR
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Modeling Quantitative Structure Property Relationships with a Semi-Empirical Topological Descriptor and Path Numbers
inferred← citeshttps://doi.org/10.1371/journal.pone.0023852openalex-snapshot
Identification of Novel Functional Inhibitors of Acid Sphingomyelinase
inferred← citeshttps://doi.org/10.1371/journal.pone.0147126openalex-snapshot
Predicting Thermodynamic Properties of PBXTHs with New Quantum Topological Indexes
inferred← citeshttps://doi.org/10.1515/psr-2018-0160openalex-snapshot
Part-II- in silico drug design: application and success
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Strategies to minimize CNS toxicity:in vitrohigh-throughput assays and computational modeling
inferred← citeshttps://doi.org/10.2174/1573409915666190227230744openalex-snapshot
QSPR Models to Predict Thermodynamic Properties of Cycloalkanes Using Molecular Descriptors and GA-MLR Method
inferred← citeshttps://doi.org/10.2478/v10007-007-0036-2openalex-snapshot
Validation of topochemical models for the prediction of permeability through the blood-brain barrier
inferred← citeshttps://doi.org/10.2788/94537openalex-snapshot
Review of QSAR Models and Software Tools for predicting Biokinetic Properties
inferred← citeshttps://doi.org/10.3109/10559610290249557openalex-snapshot
Quantitative Structure-Activity Relationship Study on Some Azidopyridinyl Neonicotinoid Insecticides for Their Selective Affinity Towards the Drosophila Nicotinic Receptor Over Mammalian a4ß2 Receptor Using Electrotopological State Atom Index
inferred← citeshttps://doi.org/10.3390/80900687openalex-snapshot
Total and Local Quadratic Indices of the Molecular Pseudograph's Atom Adjacency Matrix: Applications to the Prediction of Physical Properties of Organic Compounds
inferred← citeshttps://doi.org/10.3390/ijms21072534openalex-snapshot
In Silico Studies on Triterpenoid Saponins Permeation through the Blood–Brain Barrier Combined with Postmortem Research on the Brain Tissues of Mice Affected by Astragaloside IV Administration
inferred← citeshttps://doi.org/10.3390/ijms22073573openalex-snapshot
Biomimetic Chromatographic Studies Combined with the Computational Approach to Investigate the Ability of Triterpenoid Saponins of Plant Origin to Cross the Blood–Brain Barrier
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/ijms241612949openalex-snapshot
In Silico Analysis, Anticonvulsant Activity, and Toxicity Evaluation of Schisandrin B in Zebrafish Larvae and Mice
inferred← citeshttps://doi.org/10.3390/ijms27010328openalex-snapshot
Integrative Profiling for BBB Permeability Using Capillary Electrochromatography, Experimental Physicochemical Parameters, and Ensemble Machine Learning
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A Generally Applicable Computer Algorithm Based on the Group Additivity Method for the Calculation of Seven Molecular Descriptors: Heat of Combustion, LogPO/W, LogS, Refractivity, Polarizability, Toxicity and LogBB of Organic Compounds; Scope and Limits of Applicability
inferred← citeshttps://doi.org/10.3797/scipharm.1006-03openalex-snapshot
Models for Antitubercular Activity of 5'-O-[(N-Acyl)sulfamoyl]adenosines
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Chromatographic Behaviour Predicts the Ability of Potential Nootropics to Permeate the Blood-Brain Barrier
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Retrained Classification of Tyrosinase Inhibitors and “In Silico” Potency Estimation by Using Atom-Type Linear Indices
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Retrained Classification of Tyrosinase Inhibitors and “In Silico” Potency Estimation by Using Atom-Type Linear Indices
inferred← citeshttps://doi.org/10.4274/tjps.70288openalex-snapshot
Quantitative Structure–Activity Relationship Analysis of Selective Rho Kinase Inhibitors as Neuro-regenerator agent
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Quantitative Structure–Activity Relationship Analysis of Selective Rho Kinase Inhibitors as Neuro-regenerator Agents
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Novel Quadruplex ligands : in silico and in vitro approaches
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