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Repository
61
(6)
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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)
Blanco, S.
(1)
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Subject
Article
(6)
Priority journal
(5)
Quantitative structure activity relation
(4)
Chemical structure
(3)
Computer simulation
(3)
Algorithm
(2)
Biological model
(2)
Chemistry
(2)
Discriminant analysis
(2)
High throughput screening
(2)
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2015
(6)
2020
(5)
2019
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Artículo
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Inglés
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Subject:
Article
Language:
Inglés
Repository:
61
Year:
2015
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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
Title:
Volatile organic compounds in the atmosphere of Mexico City
Author:
Garzón, J.P.
/
Huertas, J.I.
/
Magaña, M.
/
Huertas, M.E.
/
Cárdenas, B.
/
Watanabe, T.
/
Maeda, T.
/
Wakamatsu, S.
/
Blanco, S.
Language:
Inglés
Repository:
61
Subject:
Ozone
/
Ozone formation potential
/
Toxic volatile organic compound
/
Volatile organic compound
/
Acetone
/
Air quality
/
Atmospheric chemistry
/
Benzene
/
Cost effectiveness
/
Gas chromatography
/
Industrial emissions
/
Ionization of gases
/
Liquefied petroleum gas
/
Nitrogen oxides
/
Organic compounds
/
Toluene
/
Troposphere
/
Average concentration
/
Correlation analysis
/
Emission sources
/
Environmental Authority
/
Industrial sources
/
Mexico City metropolitan areas
/
Ozone formation potentials
/
Vehicular emission
/
Volatile organic compounds
/
1,3 butadiene
/
1,4 dichlorobenzene
/
Alcohol
/
Ethylbenzene
/
Gasoline
/
Methyl chloride
/
Petroleum derivative
/
Propane
/
Styrene
/
Xylene
/
Benchmarking
/
Concentration (composition)
/
Correlation
/
Cost-benefit analysis
/
Health risk
/
Metropolitan area
/
Public health
/
Toxic substance
/
Article
/
Atmosphere
/
City
/
Controlled study
/
Human
/
Mexican
/
Mexico
/
Motor vehicle
/
Priority journal
/
Federal District [Mexico]
/
Mexico City
/
Mexico [North America]
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