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ACS Omega
|
November 2, 2020
Perturbation-Theory Machine Learning (PTML) Multilabel Model of the ChEMBL Dataset of Preclinical Assays for Antisarcoma Compounds
Alejandro Cabrera-Andrade, Andrés López-Cortés, Cristian R Munteanu, et al.
Biology
|
August 6, 2020
Prediction of Antimalarial Drug-Decorated Nanoparticle Delivery Systems with Random Forest Models
Diana V Urista, Diego B Carrué, Iago Otero, et al.
Journal of Cheminformatics
|
January 23, 2024
MATEO: intermolecular α-amidoalkylation theoretical enantioselectivity optimization. Online tool for selection and design of chiral catalysts and products
Paula Carracedo-Reboredo, Eider Aranzamendi, Shan He, et al.
European Journal of Medicinal Chemistry
|
April 26, 2021
Palladium-mediated synthesis and biological evaluation of C-10b substituted Dihydropyrrolo[1,2-b]isoquinolines as antileishmanial agents
Iratxe Barbolla, Leidi Hernández-Suárez, Viviana Quevedo-Tumailli, et al.
Journal of Chemical Information and Modeling
|
August 10, 2022
Prediction of Antileishmanial Compounds: General Model, Preparation, and Evaluation of 2-Acylpyrrole Derivatives
Carlos Santiago, Bernabé Ortega-Tenezaca, Iratxe Barbolla, et al.
Current Topics in Medicinal Chemistry
|
September 17, 2020
PTML Multi-Label Algorithms: Models, Software, and Applications
Bernabe Ortega-Tenezaca, Viviana Quevedo-Tumailli, Harbil Bediaga, et al.
Polymers
|
January 11, 2025
Artificial Intelligence-Driven Modeling for Hydrogel Three-Dimensional Printing: Computational and Experimental Cases of Study
Harbil Bediaga-Bañeres, Isabel Moreno-Benítez, Sonia Arrasate, et al.
Journal of Chemical Information and Modeling
|
February 26, 2019
Modeling Antibacterial Activity with Machine Learning and Fusion of Chemical Structure Information with Microorganism Metabolic Networks
Deyani Nocedo-Mena, Carlos Cornelio, María Del Rayo Camacho-Corona, et al.
Current Drug Metabolism
|
September 11, 2014
Matrix trace operators: from spectral moments of molecular graphs and complex networks to perturbations in synthetic reactions, micelle nanoparticles, and drug ADME processes
Humberto Gonzalez-Diaz, Sonia Arrasate, Asier Gomez-San Juan, et al.
Current Topics in Medicinal Chemistry
|
December 28, 2019
MCDCalc: Markov Chain Molecular Descriptors Calculator for Medicinal Chemistry
Paula Carracedo-Reboredo, Ramiro Corona, Mikel Martinez-Nunes, et al.
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Search research articles
Search
Showing results (21-30 of 40) with videos related to
Sort By:
Page
of 4
ACS Omega
|
November 2, 2020
Perturbation-Theory Machine Learning (PTML) Multilabel Model of the ChEMBL Dataset of Preclinical Assays for Antisarcoma Compounds
Alejandro Cabrera-Andrade, Andrés López-Cortés, Cristian R Munteanu, et al.
Biology
|
August 6, 2020
Prediction of Antimalarial Drug-Decorated Nanoparticle Delivery Systems with Random Forest Models
Diana V Urista, Diego B Carrué, Iago Otero, et al.
Journal of Cheminformatics
|
January 23, 2024
MATEO: intermolecular α-amidoalkylation theoretical enantioselectivity optimization. Online tool for selection and design of chiral catalysts and products
Paula Carracedo-Reboredo, Eider Aranzamendi, Shan He, et al.
European Journal of Medicinal Chemistry
|
April 26, 2021
Palladium-mediated synthesis and biological evaluation of C-10b substituted Dihydropyrrolo[1,2-b]isoquinolines as antileishmanial agents
Iratxe Barbolla, Leidi Hernández-Suárez, Viviana Quevedo-Tumailli, et al.
Journal of Chemical Information and Modeling
|
August 10, 2022
Prediction of Antileishmanial Compounds: General Model, Preparation, and Evaluation of 2-Acylpyrrole Derivatives
Carlos Santiago, Bernabé Ortega-Tenezaca, Iratxe Barbolla, et al.
Current Topics in Medicinal Chemistry
|
September 17, 2020
PTML Multi-Label Algorithms: Models, Software, and Applications
Bernabe Ortega-Tenezaca, Viviana Quevedo-Tumailli, Harbil Bediaga, et al.
Polymers
|
January 11, 2025
Artificial Intelligence-Driven Modeling for Hydrogel Three-Dimensional Printing: Computational and Experimental Cases of Study
Harbil Bediaga-Bañeres, Isabel Moreno-Benítez, Sonia Arrasate, et al.
Journal of Chemical Information and Modeling
|
February 26, 2019
Modeling Antibacterial Activity with Machine Learning and Fusion of Chemical Structure Information with Microorganism Metabolic Networks
Deyani Nocedo-Mena, Carlos Cornelio, María Del Rayo Camacho-Corona, et al.
Current Drug Metabolism
|
September 11, 2014
Matrix trace operators: from spectral moments of molecular graphs and complex networks to perturbations in synthetic reactions, micelle nanoparticles, and drug ADME processes
Humberto Gonzalez-Diaz, Sonia Arrasate, Asier Gomez-San Juan, et al.
Current Topics in Medicinal Chemistry
|
December 28, 2019
MCDCalc: Markov Chain Molecular Descriptors Calculator for Medicinal Chemistry
Paula Carracedo-Reboredo, Ramiro Corona, Mikel Martinez-Nunes, et al.
Page
of 4