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Quinoxaline, its derivatives and applications: A State of the Art review
Quinoxaline, its derivatives and applications: A State of the Art review
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Quinoxaline, its derivatives and applications: A State of the Art review

Pereira, Joana A. ; Pessoa, Ana M. ; Cordeiro, M. Natália D.S. ; Fernandes, Rúben ; Prudêncio, Cristina ; Noronha, João Paulo ; Vieira, Mónica

European journal of medicinal chemistry, 2015-06, Vol.97, p.664-672 [Periódico revisado por pares]

France: Elsevier Masson SAS

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2
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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3
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
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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6
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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7
CompScore: Boosting Structure-Based Virtual Screening Performance by Incorporating Docking Scoring Function Components into Consensus Scoring
CompScore: Boosting Structure-Based Virtual Screening Performance by Incorporating Docking Scoring Function Components into Consensus Scoring
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CompScore: Boosting Structure-Based Virtual Screening Performance by Incorporating Docking Scoring Function Components into Consensus Scoring

Perez-Castillo, Yunierkis ; Sotomayor-Burneo, Stellamaris ; Jimenes-Vargas, Karina ; Gonzalez-Rodriguez, Mario ; Cruz-Monteagudo, Maykel ; Armijos-Jaramillo, Vinicio ; Cordeiro, M. Natália D. S ; Borges, Fernanda ; Sánchez-Rodríguez, Aminael ; Tejera, Eduardo

Journal of chemical information and modeling, 2019-09, Vol.59 (9), p.3655-3666 [Periódico revisado por pares]

United States: American Chemical Society

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8
Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins
Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins
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Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins

Speck-Planche, Alejandro ; Cordeiro, M. Natália D. S.

Molecular diversity, 2017-08, Vol.21 (3), p.511-523 [Periódico revisado por pares]

Cham: Springer International Publishing

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9
Simultaneous Modeling of Antimycobacterial Activities and ADMET Profiles: A Chemoinformatic Approach to Medicinal Chemistry
Simultaneous Modeling of Antimycobacterial Activities and ADMET Profiles: A Chemoinformatic Approach to Medicinal Chemistry
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Simultaneous Modeling of Antimycobacterial Activities and ADMET Profiles: A Chemoinformatic Approach to Medicinal Chemistry

Speck-Planche, Alejandro ; Cordeiro, M N D S

Current topics in medicinal chemistry, 2013-08, Vol.13 (14), p.1656-1665 [Periódico revisado por pares]

United Arab Emirates: Bentham Science Publishers Ltd

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10
Speeding up Early Drug Discovery in Antiviral Research: A Fragment-Based in Silico Approach for the Design of Virtual Anti-Hepatitis C Leads
Speeding up Early Drug Discovery in Antiviral Research: A Fragment-Based in Silico Approach for the Design of Virtual Anti-Hepatitis C Leads
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Speeding up Early Drug Discovery in Antiviral Research: A Fragment-Based in Silico Approach for the Design of Virtual Anti-Hepatitis C Leads

Speck-Planche, Alejandro ; Dias Soeiro Cordeiro, M. Natália

ACS combinatorial science, 2017-08, Vol.19 (8), p.501-512 [Periódico revisado por pares]

United States: American Chemical Society

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