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Chemmedchem
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November 25, 2025
Improving Absorption, Distribution, Metabolism, and Excretion Property Predictions by Integrating Public and Proprietary Data
Peer Schliephacke, Daniel Kuhn, Lukas Friedrich
Molecular Informatics
|
January 11, 2018
De Novo Design of Bioactive Small Molecules by Artificial Intelligence
Daniel Merk, Lukas Friedrich, Francesca Grisoni, et al.
Chemmedchem
|
April 12, 2019
Design of Natural-Product-Inspired Multitarget Ligands by Machine Learning
Francesca Grisoni, Daniel Merk, Lukas Friedrich, et al.
Journal of Cheminformatics
|
November 11, 2022
Tuning gradient boosting for imbalanced bioassay modelling with custom loss functions
Davide Boldini, Lukas Friedrich, Daniel Kuhn, et al.
ACS Central Science
|
April 29, 2024
Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery
Davide Boldini, Lukas Friedrich, Daniel Kuhn, 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.
Medchemcomm
|
August 29, 2018
Scaffold hopping from synthetic RXR modulators by virtual screening and <i>de novo</i> design
Daniel Merk, Francesca Grisoni, Lukas Friedrich, et al.
Journal of Medicinal Chemistry
|
June 15, 2018
Computer-Assisted Discovery of Retinoid X Receptor Modulating Natural Products and Isofunctional Mimetics
Daniel Merk, Francesca Grisoni, Lukas Friedrich, 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.
Journal of Cheminformatics
|
August 28, 2023
Practical guidelines for the use of gradient boosting for molecular property prediction
Davide Boldini, Francesca Grisoni, Daniel Kuhn, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 25) with videos related to
Sort By:
Page
of 3
Chemmedchem
|
November 25, 2025
Improving Absorption, Distribution, Metabolism, and Excretion Property Predictions by Integrating Public and Proprietary Data
Peer Schliephacke, Daniel Kuhn, Lukas Friedrich
Molecular Informatics
|
January 11, 2018
De Novo Design of Bioactive Small Molecules by Artificial Intelligence
Daniel Merk, Lukas Friedrich, Francesca Grisoni, et al.
Chemmedchem
|
April 12, 2019
Design of Natural-Product-Inspired Multitarget Ligands by Machine Learning
Francesca Grisoni, Daniel Merk, Lukas Friedrich, et al.
Journal of Cheminformatics
|
November 11, 2022
Tuning gradient boosting for imbalanced bioassay modelling with custom loss functions
Davide Boldini, Lukas Friedrich, Daniel Kuhn, et al.
ACS Central Science
|
April 29, 2024
Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery
Davide Boldini, Lukas Friedrich, Daniel Kuhn, 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.
Medchemcomm
|
August 29, 2018
Scaffold hopping from synthetic RXR modulators by virtual screening and <i>de novo</i> design
Daniel Merk, Francesca Grisoni, Lukas Friedrich, et al.
Journal of Medicinal Chemistry
|
June 15, 2018
Computer-Assisted Discovery of Retinoid X Receptor Modulating Natural Products and Isofunctional Mimetics
Daniel Merk, Francesca Grisoni, Lukas Friedrich, 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.
Journal of Cheminformatics
|
August 28, 2023
Practical guidelines for the use of gradient boosting for molecular property prediction
Davide Boldini, Francesca Grisoni, Daniel Kuhn, et al.
Page
of 3