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Repository
61
(5)
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Author
Marrero-Ponce Y.
(5)
Barigye S.J.
(4)
García-Jacas C.R.
(3)
Alvarado Y.J.
(2)
Cubillán N.
(2)
Le-Thi-Thu H.
(2)
Acevedo-Martínez L.
(1)
Aguilera-Mendoza L.
(1)
Avdeenko T.
(1)
Brito-Sánchez Y.
(1)
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Article
(5)
Priority journal
(4)
Quantitative structure activity relation
(4)
Chemical structure
(3)
Computer simulation
(3)
Algorithm
(2)
Biological model
(2)
Chemistry
(2)
Discriminant analysis
(2)
High throughput screening
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2015
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2020
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Year:
2020
Year:
2015
Subject:
Article
Language:
Inglés
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Title:
Towards better BBB passage prediction using an extensive and curated data set
Author:
Brito-Sánchez Y.
/
Marrero-Ponce Y.
/
Barigye S.J.
/
Yaber-Goenaga I.
/
Morell Pérez C.
/
Le-Thi-Thu H.
/
Cherkasov A.
Language:
Inglés
Repository:
61
Subject:
BBB endpoint
/
Blood£brain barrier
/
Dragon descriptor
/
Linear discriminant analysis
/
Multiple linear regression
/
P-glycoprotein
/
Quantitative structure pharmacokinetic (property) relationship
/
Central nervous system agents
/
Multidrug resistance protein
/
Octanol
/
Water
/
Article
/
Blood-Brain Barrier
/
Brain disease
/
Central nervous system
/
Chemical structure
/
Cluster analysis
/
Computer program
/
Data analysis
/
Discriminant analysis
/
Drug penetration
/
Drug research
/
Drug targeting
/
Drug transport
/
Genetic algorithm
/
High throughput screening
/
Human
/
Machine learning
/
Molecular weight
/
Molecule
/
Multiple linear regression analysis
/
Partition coefficient
/
Prediction
/
Priority journal
/
Quantitative structure activity relation
/
Quantitative structure pharmacokinetic relation
/
Statistical analysis
/
Statistical model
/
Statistical parameters
/
Animal
/
Biological model
/
Computer simulation
/
Physiology
/
Animals
/
Humans
/
Models, Cardiovascular
/
Models, Neurological
Title:
Multi-server approach for high-throughput molecular descriptors calculation based on multi-linear algebraic maps
Author:
García-Jacas C.R.
/
Aguilera-Mendoza L.
/
González-Pérez R.
/
Marrero-Ponce Y.
/
Acevedo-Martínez L.
/
Barigye S.J.
/
Avdeenko T.
Language:
Inglés
Repository:
61
Subject:
3D N-linear algebraic descriptors
/
Distributed computing system
/
Multi-server architecture
/
Platform of distributed tasks
/
QuBiLS-MIDAS
/
T-arenal
/
TOMOCOMD-CARDD
/
Algorithm
/
Article
/
Calculation
/
Chemical structure
/
Communication protocol
/
Mathematics
/
Performance
/
Priority journal
/
Quantitative structure activity relation
/
Software
/
Theoretical model
/
Models, Theoretical
Title:
A Hooke's law-based approach to protein folding rate
Author:
Ruiz-Blanco Y.B.
/
Marrero-Ponce Y.
/
Prieto P.J.
/
Salgado J.
/
García Y.
/
Sotomayor-Torres C.M.
Language:
Inglés
Repository:
61
Subject:
Elastic folding constant
/
Folding degree
/
Folding kinetics
/
PROTDCAL
/
Polypeptide
/
DNA
/
Protein
/
Energetics
/
Modeling
/
Peptide
/
Reaction kinetics
/
Amino acid sequence
/
Article
/
Elasticity
/
Protein folding
/
Protein structure
/
Structure analysis
/
Theoretical model
/
Chemical model
/
Chemistry
/
Computer simulation
/
Kinetics
/
Protein secondary structure
/
Thermodynamics
/
Models, Chemical
/
Protein Structure, Secondary
/
Proteins
Title:
Optimum search strategies or novel 3D molecular descriptors: Is there a stalemate?
Author:
Marrero-Ponce Y.
/
García-Jacas C.R.
/
Barigye S.J.
/
Valdés-Martiní J.R.
/
Rivera-Borroto O.M.
/
Pino-Urias R.W.
/
Cubillán N.
/
Alvarado Y.J.
/
Le-Thi-Thu H.
Language:
Inglés
Repository:
61
Subject:
3D-QSAR
/
Aggregation operator
/
Alignment free method
/
Minkowski distance matrix
/
Principal component analysis
/
QuBiLS-MIDAS
/
TOMOCOMD-CARDD
/
Two-tuple spatial-(dis)similarity matrix
/
Variability analysis
/
Corticosteroid
/
Globulin
/
Steroid
/
Article
/
Atom
/
Binding affinity
/
Data base
/
High throughput screening
/
Information
/
Methodology
/
Priority journal
/
Quantitative structure activity relation
/
Training
Title:
Novel 3D bio-macromolecular bilinear descriptors for protein science: Predicting protein structural classes
Author:
Marrero-Ponce Y.
/
Contreras-Torres E.
/
García-Jacas C.R.
/
Barigye S.J.
/
Cubillán N.
/
Alvarado Y.J.
Language:
Inglés
Repository:
61
Subject:
3D protein descriptor
/
Bilinear form
/
Coulombic matrix
/
LDA
/
Protein structural classes
/
Amino acid
/
Macromolecule
/
Protein
/
Discriminant analysis
/
Matrix
/
Three-dimensional modeling
/
Amino acid analysis
/
Article
/
Correlation coefficient
/
Mathematical parameters
/
Nonbiological model
/
Priority journal
/
Protein analysis
/
Protein function
/
Protein structure
/
Statistical parameters
/
Structure analysis
/
Validation study
/
Algorithm
/
Biological model
/
Biology
/
Chemical structure
/
Chemistry
/
Computer simulation
/
Markov chain
/
Procedures
/
Protein conformation
/
Quantitative structure activity relation
/
Reproducibility
/
Statistical model
/
Algorithms
/
Amino Acids
/
Computational Biology
/
Linear Models
/
Macromolecular Substances
/
Models, Biological
/
Models, Molecular
/
Proteins
/
Quantitative Structure-Activity Relationship
/
Reproducibility of Results
/
Stochastic processes
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