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Integrated Environmental Assessment and Management
|
March 2, 2019
Predictive models in ecotoxicology: Bridging the gap between scientific progress and regulatory applicability-Remarks and research needs
Marco Vighi, Alpar Barsi, Andreas Focks, et al.
Journal of Chemical Information and Modeling
|
June 26, 2025
Scaffold Hopping with Generative Reinforcement Learning
Luke Rossen, Finton Sirockin, Nadine Schneider, et al.
Frontiers in Molecular Biosciences
|
April 30, 2021
Editorial: Molecular Dynamics and Machine Learning in Drug Discovery
Sergio Decherchi, Francesca Grisoni, Pratyush Tiwary, et al.
Scientific Reports
|
November 9, 2018
Scaffold-Hopping from Synthetic Drugs by Holistic Molecular Representation
Francesca Grisoni, Daniel Merk, Ryan Byrne, et al.
International Journal of Molecular Sciences
|
June 14, 2016
In Silico Prediction of Cytochrome P450-Drug Interaction: QSARs for CYP3A4 and CYP2C9
Serena Nembri, Francesca Grisoni, Viviana Consonni, et al.
Molecular Informatics
|
January 11, 2018
De Novo Design of Bioactive Small Molecules by Artificial Intelligence
Daniel Merk, Lukas Friedrich, Francesca Grisoni, et al.
Nature Communications
|
July 22, 2024
Chemical language modeling with structured state space sequence models
Rıza Özçelik, Sarah de Ruiter, Emanuele Criscuolo, et al.
Expert Opinion on Drug Discovery
|
March 29, 2021
Artificial intelligence in drug discovery: recent advances and future perspectives
José Jiménez-Luna, Francesca Grisoni, Nils Weskamp, et al.
Digital Discovery
|
September 8, 2025
Going beyond SMILES enumeration for data augmentation in generative drug discovery
Helena Brinkmann, Antoine Argante, Hugo Ter Steege, et al.
Chemistryopen
|
January 10, 2019
Discovery of Novel Molecular Frameworks of Farnesoid X Receptor Modulators by Ensemble Machine Learning
Daniel Merk, Francesca Grisoni, Kay Schaller, et al.
Page
of 9
Search research articles
Search
Showing results (31-40 of 82) with videos related to
Sort By:
Page
of 9
Integrated Environmental Assessment and Management
|
March 2, 2019
Predictive models in ecotoxicology: Bridging the gap between scientific progress and regulatory applicability-Remarks and research needs
Marco Vighi, Alpar Barsi, Andreas Focks, et al.
Journal of Chemical Information and Modeling
|
June 26, 2025
Scaffold Hopping with Generative Reinforcement Learning
Luke Rossen, Finton Sirockin, Nadine Schneider, et al.
Frontiers in Molecular Biosciences
|
April 30, 2021
Editorial: Molecular Dynamics and Machine Learning in Drug Discovery
Sergio Decherchi, Francesca Grisoni, Pratyush Tiwary, et al.
Scientific Reports
|
November 9, 2018
Scaffold-Hopping from Synthetic Drugs by Holistic Molecular Representation
Francesca Grisoni, Daniel Merk, Ryan Byrne, et al.
International Journal of Molecular Sciences
|
June 14, 2016
In Silico Prediction of Cytochrome P450-Drug Interaction: QSARs for CYP3A4 and CYP2C9
Serena Nembri, Francesca Grisoni, Viviana Consonni, et al.
Molecular Informatics
|
January 11, 2018
De Novo Design of Bioactive Small Molecules by Artificial Intelligence
Daniel Merk, Lukas Friedrich, Francesca Grisoni, et al.
Nature Communications
|
July 22, 2024
Chemical language modeling with structured state space sequence models
Rıza Özçelik, Sarah de Ruiter, Emanuele Criscuolo, et al.
Expert Opinion on Drug Discovery
|
March 29, 2021
Artificial intelligence in drug discovery: recent advances and future perspectives
José Jiménez-Luna, Francesca Grisoni, Nils Weskamp, et al.
Digital Discovery
|
September 8, 2025
Going beyond SMILES enumeration for data augmentation in generative drug discovery
Helena Brinkmann, Antoine Argante, Hugo Ter Steege, et al.
Chemistryopen
|
January 10, 2019
Discovery of Novel Molecular Frameworks of Farnesoid X Receptor Modulators by Ensemble Machine Learning
Daniel Merk, Francesca Grisoni, Kay Schaller, et al.
Page
of 9