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QSAR-Co: An Open Source Software for Developing Robust Multitasking or Multitarget Classification-Based QSAR Models
QSAR-Co: An Open Source Software for Developing Robust Multitasking or Multitarget Classification-Based QSAR Models
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QSAR-Co: An Open Source Software for Developing Robust Multitasking or Multitarget Classification-Based QSAR Models

Ambure, Pravin ; Halder, Amit Kumar ; González Díaz, Humbert ; Cordeiro, M. Natália D. S

Journal of chemical information and modeling, 2019-06, Vol.59 (6), p.2538-2544 [Periódico revisado por pares]

United States: American Chemical Society

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Improving Vibrational Mode Interpretation Using Bayesian Regression
Improving Vibrational Mode Interpretation Using Bayesian Regression
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Improving Vibrational Mode Interpretation Using Bayesian Regression

Teixeira, Filipe ; Cordeiro, M. Natália D. S

Journal of chemical theory and computation, 2019-01, Vol.15 (1), p.456-470 [Periódico revisado por pares]

United States: American Chemical Society

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New Workflow for QSAR Model Development from Small Data Sets: Small Dataset Curator and Small Dataset Modeler. Integration of Data Curation, Exhaustive Double Cross-Validation, and a Set of Optimal Model Selection Techniques
New Workflow for QSAR Model Development from Small Data Sets: Small Dataset Curator and Small Dataset Modeler. Integration of Data Curation, Exhaustive Double Cross-Validation, and a Set of Optimal Model Selection Techniques
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New Workflow for QSAR Model Development from Small Data Sets: Small Dataset Curator and Small Dataset Modeler. Integration of Data Curation, Exhaustive Double Cross-Validation, and a Set of Optimal Model Selection Techniques

Ambure, Pravin ; Gajewicz-Skretna, Agnieszka ; Cordeiro, M. Natalia D. S ; Roy, Kunal

Journal of chemical information and modeling, 2019-10, Vol.59 (10), p.4070-4076 [Periódico revisado por pares]

United States: American Chemical Society

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4
First Multitarget Chemo-Bioinformatic Model To Enable the Discovery of Antibacterial Peptides against Multiple Gram-Positive Pathogens
First Multitarget Chemo-Bioinformatic Model To Enable the Discovery of Antibacterial Peptides against Multiple Gram-Positive Pathogens
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First Multitarget Chemo-Bioinformatic Model To Enable the Discovery of Antibacterial Peptides against Multiple Gram-Positive Pathogens

Speck-Planche, Alejandro ; Kleandrova, Valeria V ; Ruso, Juan M ; D. S. Cordeiro, M. N

Journal of chemical information and modeling, 2016-03, Vol.56 (3), p.588-598 [Periódico revisado por pares]

United States: American Chemical Society

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5
An integrated protocol to study hydrogen abstraction reactions by atomic hydrogen in flexible molecules: application to butanol isomers
An integrated protocol to study hydrogen abstraction reactions by atomic hydrogen in flexible molecules: application to butanol isomers
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An integrated protocol to study hydrogen abstraction reactions by atomic hydrogen in flexible molecules: application to butanol isomers

Ferro-Costas, David ; Cordeiro, M. Natália D. S ; Fernández-Ramos, Antonio

Physical chemistry chemical physics : PCCP, 2022-02, Vol.24 (5), p.343-358 [Periódico revisado por pares]

England: Royal Society of Chemistry

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6
Explainable Supervised Machine Learning Model To Predict Solvation Gibbs Energy
Explainable Supervised Machine Learning Model To Predict Solvation Gibbs Energy
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Explainable Supervised Machine Learning Model To Predict Solvation Gibbs Energy

Ferraz-Caetano, José ; Teixeira, Filipe ; Cordeiro, M. Natália D. S.

Journal of chemical information and modeling, 2024-04, Vol.64 (7), p.2250-2262 [Periódico revisado por pares]

United States: American Chemical Society

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7
Molecularly imprinted polymer-based electrochemical sensors for environmental analysis
Molecularly imprinted polymer-based electrochemical sensors for environmental analysis
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Molecularly imprinted polymer-based electrochemical sensors for environmental analysis

Rebelo, Patrícia ; Costa-Rama, Estefanía ; Seguro, Isabel ; Pacheco, João G. ; Nouws, Henri P.A. ; Cordeiro, M. Natália D.S. ; Delerue-Matos, Cristina

Biosensors & bioelectronics, 2021-01, Vol.172, p.112719, Article 112719 [Periódico revisado por pares]

England: Elsevier B.V

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A hybrid neutron diffraction and computer simulation study on the solvation of N-methylformamide in dimethylsulfoxide
A hybrid neutron diffraction and computer simulation study on the solvation of N-methylformamide in dimethylsulfoxide
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A hybrid neutron diffraction and computer simulation study on the solvation of N-methylformamide in dimethylsulfoxide

Cordeiro, João M M ; Soper, Alan K

The Journal of chemical physics, 2013-01, Vol.138 (4), p.044502-044502 [Periódico revisado por pares]

United States

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9
Molecular Structure and Permeability at the Interface between Phase-Separated Membrane Domains
Molecular Structure and Permeability at the Interface between Phase-Separated Membrane Domains
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Molecular Structure and Permeability at the Interface between Phase-Separated Membrane Domains

Cordeiro, Rodrigo M

The journal of physical chemistry. B, 2018-07, Vol.122 (27), p.6954-6965 [Periódico revisado por pares]

United States: American Chemical Society

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10
Rational drug design for anti-cancer chemotherapy: Multi-target QSAR models for the in silico discovery of anti-colorectal cancer agents
Rational drug design for anti-cancer chemotherapy: Multi-target QSAR models for the in silico discovery of anti-colorectal cancer agents
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Rational drug design for anti-cancer chemotherapy: Multi-target QSAR models for the in silico discovery of anti-colorectal cancer agents

Speck-Planche, Alejandro ; Kleandrova, Valeria V. ; Luan, Feng ; Cordeiro, M. Natália D.S.

Bioorganic & medicinal chemistry, 2012-08, Vol.20 (15), p.4848-4855 [Periódico revisado por pares]

Amsterdam: Elsevier Ltd

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