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Journal of Chemical Information and Modeling
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January 12, 2022
Benchmarking Molecular Feature Attribution Methods with Activity Cliffs
José Jiménez-Luna, Miha Skalic, Nils Weskamp
Molecular Informatics
|
July 8, 2024
Multi-Task ADME/PK prediction at industrial scale: leveraging large and diverse experimental datasets
Moritz Walter, Jens M Borghardt, Lina Humbeck, et al.
Journal of Chemical Information and Modeling
|
February 25, 2021
Coloring Molecules with Explainable Artificial Intelligence for Preclinical Relevance Assessment
José Jiménez-Luna, Miha Skalic, Nils Weskamp, et al.
Journal of Chemical Information and Modeling
|
February 15, 2019
Shape-Based Generative Modeling for de Novo Drug Design
Miha Skalic, José Jiménez, Davide Sabbadin, et al.
Bioinformatics (Oxford, England)
|
September 1, 2018
PlayMolecule BindScope: large scale CNN-based virtual screening on the web
Miha Skalic, Gerard Martínez-Rosell, José Jiménez, et al.
Molecular Pharmaceutics
|
August 23, 2019
From Target to Drug: Generative Modeling for the Multimodal Structure-Based Ligand Design
Miha Skalic, Davide Sabbadin, Boris Sattarov, et al.
Bioinformatics (Oxford, England)
|
July 9, 2018
LigVoxel: inpainting binding pockets using 3D-convolutional neural networks
Miha Skalic, Alejandro Varela-Rial, José Jiménez, et al.
Genome Biology
|
March 25, 2018
SUPPA2: fast, accurate, and uncertainty-aware differential splicing analysis across multiple conditions
Juan L Trincado, Juan C Entizne, Gerald Hysenaj, et al.
Clinical and Translational Science
|
March 17, 2025
Predicting Pharmacokinetics in Rats Using Machine Learning: A Comparative Study Between Empirical, Compartmental, and PBPK-Based Approaches
Moritz Walter, Ghaith Aljayyoussi, Bettina Gerner, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Journal of Chemical Information and Modeling
|
January 12, 2022
Benchmarking Molecular Feature Attribution Methods with Activity Cliffs
José Jiménez-Luna, Miha Skalic, Nils Weskamp
Molecular Informatics
|
July 8, 2024
Multi-Task ADME/PK prediction at industrial scale: leveraging large and diverse experimental datasets
Moritz Walter, Jens M Borghardt, Lina Humbeck, et al.
Journal of Chemical Information and Modeling
|
February 25, 2021
Coloring Molecules with Explainable Artificial Intelligence for Preclinical Relevance Assessment
José Jiménez-Luna, Miha Skalic, Nils Weskamp, et al.
Journal of Chemical Information and Modeling
|
February 15, 2019
Shape-Based Generative Modeling for de Novo Drug Design
Miha Skalic, José Jiménez, Davide Sabbadin, et al.
Bioinformatics (Oxford, England)
|
September 1, 2018
PlayMolecule BindScope: large scale CNN-based virtual screening on the web
Miha Skalic, Gerard Martínez-Rosell, José Jiménez, et al.
Molecular Pharmaceutics
|
August 23, 2019
From Target to Drug: Generative Modeling for the Multimodal Structure-Based Ligand Design
Miha Skalic, Davide Sabbadin, Boris Sattarov, et al.
Bioinformatics (Oxford, England)
|
July 9, 2018
LigVoxel: inpainting binding pockets using 3D-convolutional neural networks
Miha Skalic, Alejandro Varela-Rial, José Jiménez, et al.
Genome Biology
|
March 25, 2018
SUPPA2: fast, accurate, and uncertainty-aware differential splicing analysis across multiple conditions
Juan L Trincado, Juan C Entizne, Gerald Hysenaj, et al.
Clinical and Translational Science
|
March 17, 2025
Predicting Pharmacokinetics in Rats Using Machine Learning: A Comparative Study Between Empirical, Compartmental, and PBPK-Based Approaches
Moritz Walter, Ghaith Aljayyoussi, Bettina Gerner, et al.
Page
of 1