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 (571-580 of 1,363) with videos related to

Pageof 137
Sort By:
Journal of Cheminformatics|February 15, 2023
UnCorrupt SMILES: a novel approach to de novo designLinde Schoenmaker, Olivier J M Béquignon, Willem Jespers, et al.
Journal of Cheminformatics|February 21, 2023
Notes on molecular fragmentation and parameter settings for a dissipative particle dynamics study of a C<sub>10</sub>E<sub>4</sub>/water mixture with lamellar bilayer formationFelix Bänsch, Christoph Steinbeck, Achim Zielesny
Journal of Cheminformatics|February 27, 2023
ABT-MPNN: an atom-bond transformer-based message-passing neural network for molecular property predictionChengyou Liu, Yan Sun, Rebecca Davis, et al.
Journal of Cheminformatics|February 24, 2023
Predicting RP-LC retention indices of structurally unknown chemicals from mass spectrometry dataJim Boelrijk, Denice van Herwerden, Bernd Ensing, et al.
Journal of Cheminformatics|February 27, 2025
Pretraining graph transformers with atom-in-a-molecule quantum properties for improved ADMET modelingAlessio Fallani, Ramil Nugmanov, Jose Arjona-Medina, et al.
Journal of Cheminformatics|February 26, 2025
Infrared spectrum analysis of organic molecules with neural networks using standard reference data sets in combination with real-world dataDev Punjabi, Yu-Chieh Huang, Laura Holzhauer, et al.
Journal of Cheminformatics|March 2, 2025
GNINA 1.3: the next increment in molecular docking with deep learningAndrew T McNutt, Yanjing Li, Rocco Meli, et al.
Journal of Cheminformatics|January 28, 2025
hERGAT: predicting hERG blockers using graph attention mechanism through atom- and molecule-level interaction analysesDohyeon Lee, Sunyong Yoo
Journal of Cheminformatics|January 31, 2025
APBIO: bioactive profiling of air pollutants through inferred bioactivity signatures and prediction of novel target interactionsEva Viesi, Ugo Perricone, Patrick Aloy, et al.
Journal of Cheminformatics|February 5, 2025
Positional embeddings and zero-shot learning using BERT for molecular-property predictionMedard Edmund Mswahili, JunHa Hwang, Jagath C Rajapakse, et al.
Pageof 137

Showing results (571-580 of 1,363) with videos related to

Sort By:
Pageof 137
Journal of Cheminformatics|February 15, 2023
UnCorrupt SMILES: a novel approach to de novo designLinde Schoenmaker, Olivier J M Béquignon, Willem Jespers, et al.
Journal of Cheminformatics|February 21, 2023
Notes on molecular fragmentation and parameter settings for a dissipative particle dynamics study of a C<sub>10</sub>E<sub>4</sub>/water mixture with lamellar bilayer formationFelix Bänsch, Christoph Steinbeck, Achim Zielesny
Journal of Cheminformatics|February 27, 2023
ABT-MPNN: an atom-bond transformer-based message-passing neural network for molecular property predictionChengyou Liu, Yan Sun, Rebecca Davis, et al.
Journal of Cheminformatics|February 24, 2023
Predicting RP-LC retention indices of structurally unknown chemicals from mass spectrometry dataJim Boelrijk, Denice van Herwerden, Bernd Ensing, et al.
Journal of Cheminformatics|February 27, 2025
Pretraining graph transformers with atom-in-a-molecule quantum properties for improved ADMET modelingAlessio Fallani, Ramil Nugmanov, Jose Arjona-Medina, et al.
Journal of Cheminformatics|February 26, 2025
Infrared spectrum analysis of organic molecules with neural networks using standard reference data sets in combination with real-world dataDev Punjabi, Yu-Chieh Huang, Laura Holzhauer, et al.
Journal of Cheminformatics|March 2, 2025
GNINA 1.3: the next increment in molecular docking with deep learningAndrew T McNutt, Yanjing Li, Rocco Meli, et al.
Journal of Cheminformatics|January 28, 2025
hERGAT: predicting hERG blockers using graph attention mechanism through atom- and molecule-level interaction analysesDohyeon Lee, Sunyong Yoo
Journal of Cheminformatics|January 31, 2025
APBIO: bioactive profiling of air pollutants through inferred bioactivity signatures and prediction of novel target interactionsEva Viesi, Ugo Perricone, Patrick Aloy, et al.
Journal of Cheminformatics|February 5, 2025
Positional embeddings and zero-shot learning using BERT for molecular-property predictionMedard Edmund Mswahili, JunHa Hwang, Jagath C Rajapakse, et al.
Pageof 137