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

Philippe Schwaller

Showing results (1-10 of 56) with videos related to

Pageof 6
Sort By:
The Journal of Chemical Physics|April 10, 2024
Molecular hypergraph neural networksJunwu Chen, Philippe Schwaller
Nature Computational Science|March 3, 2026
TANGO: direct optimization of constrained synthesizability for generative molecular designJeff Guo, Philippe Schwaller
Chemical Science|March 24, 2025
Directly optimizing for synthesizability in generative molecular design using retrosynthesis modelsJeff Guo, Philippe Schwaller
JACS Au|June 28, 2024
Augmented Memory: Sample-Efficient Generative Molecular Design with Reinforcement LearningJeff Guo, Philippe Schwaller
Communications Chemistry|January 14, 2025
Human interpretable structure-property relationships in chemistry using explainable machine learning and large language modelsGeemi P Wellawatte, Philippe Schwaller
Beilstein Journal of Organic Chemistry|November 12, 2025
Adaptive experimentation and optimization in organic chemistryArtur M Schweidtmann, Philippe Schwaller
Environmental Science & Technology|February 27, 2025
Predicting Toxicity toward Nitrifiers by Attention-Enhanced Graph Neural Networks and Transfer Learning from Baseline ToxicityKunyang Zhang, Philippe Schwaller, Kathrin Fenner
Chimia|December 4, 2023
Bayesian Optimization for Chemical ReactionsJeff Guo, Bojana Ranković, Philippe Schwaller
Digital Discovery|May 6, 2022
Reaction classification and yield prediction using the differential reaction fingerprint DRFPDaniel Probst, Philippe Schwaller, Jean-Louis Reymond
Chemical Science|July 14, 2021
Predicting enzymatic reactions with a molecular transformerDavid Kreutter, Philippe Schwaller, Jean-Louis Reymond
Pageof 6

Showing results (1-10 of 56) with videos related to

Sort By:
Pageof 6
The Journal of Chemical Physics|April 10, 2024
Molecular hypergraph neural networksJunwu Chen, Philippe Schwaller
Nature Computational Science|March 3, 2026
TANGO: direct optimization of constrained synthesizability for generative molecular designJeff Guo, Philippe Schwaller
Chemical Science|March 24, 2025
Directly optimizing for synthesizability in generative molecular design using retrosynthesis modelsJeff Guo, Philippe Schwaller
JACS Au|June 28, 2024
Augmented Memory: Sample-Efficient Generative Molecular Design with Reinforcement LearningJeff Guo, Philippe Schwaller
Communications Chemistry|January 14, 2025
Human interpretable structure-property relationships in chemistry using explainable machine learning and large language modelsGeemi P Wellawatte, Philippe Schwaller
Beilstein Journal of Organic Chemistry|November 12, 2025
Adaptive experimentation and optimization in organic chemistryArtur M Schweidtmann, Philippe Schwaller
Environmental Science & Technology|February 27, 2025
Predicting Toxicity toward Nitrifiers by Attention-Enhanced Graph Neural Networks and Transfer Learning from Baseline ToxicityKunyang Zhang, Philippe Schwaller, Kathrin Fenner
Chimia|December 4, 2023
Bayesian Optimization for Chemical ReactionsJeff Guo, Bojana Ranković, Philippe Schwaller
Digital Discovery|May 6, 2022
Reaction classification and yield prediction using the differential reaction fingerprint DRFPDaniel Probst, Philippe Schwaller, Jean-Louis Reymond
Chemical Science|July 14, 2021
Predicting enzymatic reactions with a molecular transformerDavid Kreutter, Philippe Schwaller, Jean-Louis Reymond
Pageof 6