Cargando…

Quantum Artificial Neural Network Approach to Derive a Highly Predictive 3D-QSAR Model for Blood–Brain Barrier Passage

A successful passage of the blood–brain barrier (BBB) is an essential prerequisite for the drug molecules designed to act on the central nervous system. The logarithm of blood–brain partitioning (LogBB) has served as an effective index of molecular BBB permeability. Using the three-dimensional (3D)...

Descripción completa

Detalles Bibliográficos
Autores principales:	Kim, Taeho, You, Byoung Hoon, Han, Songhee, Shin, Ho Chul, Chung, Kee-Choo, Park, Hwangseo
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8537149/ https://www.ncbi.nlm.nih.gov/pubmed/34681653 http://dx.doi.org/10.3390/ijms222010995

Ejemplares similares

Derivation of Highly Predictive 3D-QSAR Models for hERG Channel Blockers Based on the Quantum Artificial Neural Network Algorithm
por: Kim, Taeho, et al.
Publicado: (2023)

Accuracy enhancement in the estimation of molecular hydration free energies by implementing the intramolecular hydrogen bond effects
por: Chung, Kee-Choo, et al.
Publicado: (2015)

Passage of immunomodulators across the blood-brain barrier.
por: Stitt, J. T.
Publicado: (1990)

Passage of parasites across the blood-brain barrier
por: Masocha, Willias, et al.
Publicado: (2012)

Development of QSAR models to predict blood-brain barrier permeability
por: Faramarzi, Sadegh, et al.
Publicado: (2022)

The Passage of Blood by the Bowel
Publicado: (1905)

The Passage of S100B from Brain to Blood Is Not Specifically Related to the Blood-Brain Barrier Integrity
por: Kleindienst, Andrea, et al.
Publicado: (2010)

Alvascience: A New Software Suite for the QSAR Workflow Applied to the Blood–Brain Barrier Permeability
por: Mauri, Andrea, et al.
Publicado: (2022)

Structure-Based Virtual Screening and De Novo Design to Identify Submicromolar Inhibitors of G2019S Mutant of Leucine-Rich Repeat Kinase 2
por: Park, Hwangseo, et al.
Publicado: (2022)

A QSAR study of some cyclobutenediones as CCR1 antagonists by artificial neural networks based on principal component analysis
por: Shahlaei, M, et al.
Publicado: (2011)

An Unexpected Transient Breakdown of the Blood Brain Barrier Triggers Passage of Large Intravenously Administered Nanoparticles
por: Smith, Nicole M., et al.
Publicado: (2016)

Quantum-mechanics-based molecular interaction fields for 3D-QSAR
por: ElKerdawy, Ahmed, et al.
Publicado: (2014)

Passage of Corpuscles through the Blood-vessels
Publicado: (1871)

The Classical–Quantum Passage: A van der Waals Description
por: Pennini, Flavia, et al.
Publicado: (2022)

A Novel Magnetic Actuation Scheme to Disaggregate Nanoparticles and Enhance Passage across the Blood–Brain Barrier
por: Hoshiar, Ali Kafash, et al.
Publicado: (2017)

PASSAGE OF RADIOACTIVE ERYTHROCYTES FROM THE PERITONEAL CAVITY INTO THE BLOOD STREAM DURING EXPERIMENTAL ASCITES
por: McKee, Frank W., et al.
Publicado: (1950)

The Qsar Study of Azole Derivatives Using Molecular Descriptors for Quantum Molecular States
por: AMZOIU, M.O., et al.
Publicado: (2016)

Flow of Time: Perceiving the passage of time: neural possibilities
por: Muller, Timothy, et al.
Publicado: (2014)

Elements Modulating the Prion Species Barrier and Its Passage Consequences
por: Torres, Juan-Maria, et al.
Publicado: (2014)

QSAR analysis of pyrimidine derivatives as VEGFR-2 receptor inhibitors to inhibit cancer using multiple linear regression and artificial neural network
por: Masoomi Sefiddashti, Fariba, et al.
Publicado: (2021)

Spatial adiabatic passage of massive quantum particles in an optical Lieb lattice
por: Taie, Shintaro, et al.
Publicado: (2020)

Quantum Simulation of the Shortcut to the Adiabatic Passage Using Nuclear Magnetic Resonance
por: Liu, Xin-Chang, et al.
Publicado: (2023)

Mechanism of the Passage of Angiostrongylus cantonensis across the Final Host Blood-Brain Barrier Using the Next-Generation Sequencing
por: Guo, Yue, et al.
Publicado: (2021)

QSAR workbench: automating QSAR modeling to drive compound design
por: Cox, Richard, et al.
Publicado: (2013)

Quantum mechanics and 3D-QSAR studies on thienopyridine analogues: inhibitors of IKKβ
por: Ul-Haq, Zaheer, et al.
Publicado: (2020)

Combined Micellar Liquid Chromatography Technique and QSARs Modeling in Predicting the Blood–Brain Barrier Permeation of Heterocyclic Drug-like Compounds
por: Janicka, Małgorzata, et al.
Publicado: (2022)

Passages
por: Sheehy, Gail

Development of a Nanoparticle-Based Approach for the Blood–Brain Barrier Passage in a Murine Model of Amyotrophic Lateral Sclerosis
por: Violatto, Martina Bruna, et al.
Publicado: (2022)

Creation of quantum entangled states of Rydberg atoms via chirped adiabatic passage
por: Pachniak, Elliot, et al.
Publicado: (2021)

Recent Advances in Fragment-Based QSAR and Multi-Dimensional QSAR Methods
por: Myint, Kyaw Zeyar, et al.
Publicado: (2010)

2D-QSAR and 3D-QSAR Analyses for EGFR Inhibitors
por: Zhao, Manman, et al.
Publicado: (2017)

Methodology of aiQSAR: a group-specific approach to QSAR modelling
por: Vukovic, Kristijan, et al.
Publicado: (2019)

QSAR-Co-X: an open source toolkit for multitarget QSAR modelling
por: Halder, Amit Kumar, et al.
Publicado: (2021)

The inevitable QSAR renaissance
por: Cramer, Richard D.
Publicado: (2011)

Automating QSAR expertise
por: Leahy, DE, et al.
Publicado: (2008)

QSAR DataBank - an approach for the digital organization and archiving of QSAR model information
por: Ruusmann, Villu, et al.
Publicado: (2014)

Bioengineering an Artificial Human Blood–Brain Barrier in Rodents
por: Kamal, Kimia, et al.
Publicado: (2019)

Astrocytes and human artificial blood-brain barrier models
por: Zidarič, Tanja, et al.
Publicado: (2022)

Double-passage ground-state cooling induced by quantum interference in the hybrid optomechanical system
por: Li, Lingchao, et al.
Publicado: (2018)

Use and perceived benefits and barriers of QSAR models for REACH: findings from a questionnaire to stakeholders
por: Mays, Claire, et al.
Publicado: (2012)

Cannot write session to /tmp/vufind_sessions/sess_phrti9anrbpmj86d508i0jit0c