Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Filters

Journal of cheminformatics

Showing results (431-440 of 1,363) with videos related to

Pageof 137
Sort By:
Journal of Cheminformatics|May 13, 2025
Generating diversity and securing completeness in algorithmic retrosynthesisFlorian Mrugalla, Christopher Franz, Yannic Alber, et al.
Journal of Cheminformatics|May 9, 2025
The published role of artificial intelligence in drug discovery and development: a bibliometric and social network analysis from 1990 to 2023Murat Koçak, Zafer Akçalı
Journal of Cheminformatics|May 5, 2025
Application of 3D atom pair map in an attention model for enhanced drug virtual screeningGina Ryu, Wankyu Kim
Journal of Cheminformatics|May 5, 2025
Prediction of blood-brain barrier and Caco-2 permeability through the Enalos Cloud Platform: combining contrastive learning and atom-attention message passing neural networksNikoletta-Maria Koutroumpa, Andreas Tsoumanis, Haralambos Sarimveis, et al.
Journal of Cheminformatics|April 21, 2025
Prediction of the water solubility by a graph convolutional-based neural network on a highly curated datasetNadin Ulrich, Karsten Voigt, Anton Kudria, et al.
Journal of Cheminformatics|April 24, 2025
High-throughput screening data generation, scoring and FAIRification: a case study on nanomaterialsGergana Tancheva, Vesa Hongisto, Konrad Patyra, et al.
Journal of Cheminformatics|April 24, 2025
Molecular property prediction using pretrained-BERT and Bayesian active learning: a data-efficient approach to drug designMuhammad Arslan Masood, Samuel Kaski, Tianyu Cui
Journal of Cheminformatics|April 24, 2025
Visualising lead optimisation series using reduced graphsJessica Stacey, Baptiste Canault, Stephen D Pickett, et al.
Journal of Cheminformatics|September 23, 2025
Contrastive explanations for machine learning predictions in chemistryAlec Lamens, Jürgen Bajorath
Journal of Cheminformatics|August 9, 2025
Multi-fidelity graph neural networks for predicting toluene/water partition coefficientsThomas Nevolianis, Jan G Rittig, Alexander Mitsos, et al.
Pageof 137

Showing results (431-440 of 1,363) with videos related to

Sort By:
Pageof 137
Journal of Cheminformatics|May 13, 2025
Generating diversity and securing completeness in algorithmic retrosynthesisFlorian Mrugalla, Christopher Franz, Yannic Alber, et al.
Journal of Cheminformatics|May 9, 2025
The published role of artificial intelligence in drug discovery and development: a bibliometric and social network analysis from 1990 to 2023Murat Koçak, Zafer Akçalı
Journal of Cheminformatics|May 5, 2025
Application of 3D atom pair map in an attention model for enhanced drug virtual screeningGina Ryu, Wankyu Kim
Journal of Cheminformatics|May 5, 2025
Prediction of blood-brain barrier and Caco-2 permeability through the Enalos Cloud Platform: combining contrastive learning and atom-attention message passing neural networksNikoletta-Maria Koutroumpa, Andreas Tsoumanis, Haralambos Sarimveis, et al.
Journal of Cheminformatics|April 21, 2025
Prediction of the water solubility by a graph convolutional-based neural network on a highly curated datasetNadin Ulrich, Karsten Voigt, Anton Kudria, et al.
Journal of Cheminformatics|April 24, 2025
High-throughput screening data generation, scoring and FAIRification: a case study on nanomaterialsGergana Tancheva, Vesa Hongisto, Konrad Patyra, et al.
Journal of Cheminformatics|April 24, 2025
Molecular property prediction using pretrained-BERT and Bayesian active learning: a data-efficient approach to drug designMuhammad Arslan Masood, Samuel Kaski, Tianyu Cui
Journal of Cheminformatics|April 24, 2025
Visualising lead optimisation series using reduced graphsJessica Stacey, Baptiste Canault, Stephen D Pickett, et al.
Journal of Cheminformatics|September 23, 2025
Contrastive explanations for machine learning predictions in chemistryAlec Lamens, Jürgen Bajorath
Journal of Cheminformatics|August 9, 2025
Multi-fidelity graph neural networks for predicting toluene/water partition coefficientsThomas Nevolianis, Jan G Rittig, Alexander Mitsos, et al.
Pageof 137