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 (751-760 of 1,363) with videos related to

Pageof 137
Sort By:
Journal of Cheminformatics|August 9, 2012
The semantics of Chemical Markup Language (CML) for computational chemistry : CompChemWeerapong Phadungsukanan, Markus Kraft, Joe A Townsend, et al.
Journal of Cheminformatics|March 20, 2010
Fast automated placement of polar hydrogen atoms in protein-ligand complexesTobias Lippert, Matthias Rarey
Journal of Cheminformatics|March 20, 2010
The PubChem chemical structure sketcherWolf D Ihlenfeldt, Evan E Bolton, Stephen H Bryant
Journal of Cheminformatics|January 17, 2025
One size does not fit all: revising traditional paradigms for assessing accuracy of QSAR models used for virtual screeningJames Wellnitz, Sankalp Jain, Joshua E Hochuli, et al.
Journal of Cheminformatics|January 17, 2025
Chemical space as a unifying theme for chemistryJean-Louis Reymond
Journal of Cheminformatics|January 13, 2025
Fragmenstein: predicting protein-ligand structures of compounds derived from known crystallographic fragment hits using a strict conserved-binding-based methodologyMatteo P Ferla, Rubén Sánchez-García, Rachael E Skyner, et al.
Journal of Cheminformatics|January 5, 2025
Prediction of Pt, Ir, Ru, and Rh complexes light absorption in the therapeutic window for phototherapy using machine learningV Vigna, T F G G Cova, A A C C Pais, et al.
Journal of Cheminformatics|December 28, 2024
STOUT V2.0: SMILES to IUPAC name conversion using transformer modelsKohulan Rajan, Achim Zielesny, Christoph Steinbeck
Journal of Cheminformatics|December 29, 2024
DeepTGIN: a novel hybrid multimodal approach using transformers and graph isomorphism networks for protein-ligand binding affinity predictionGuishen Wang, Hangchen Zhang, Mengting Shao, et al.
Journal of Cheminformatics|March 11, 2025
Fifteen years of ChEMBL and its role in cheminformatics and drug discoveryBarbara Zdrazil
Pageof 137

Showing results (751-760 of 1,363) with videos related to

Sort By:
Pageof 137
Journal of Cheminformatics|August 9, 2012
The semantics of Chemical Markup Language (CML) for computational chemistry : CompChemWeerapong Phadungsukanan, Markus Kraft, Joe A Townsend, et al.
Journal of Cheminformatics|March 20, 2010
Fast automated placement of polar hydrogen atoms in protein-ligand complexesTobias Lippert, Matthias Rarey
Journal of Cheminformatics|March 20, 2010
The PubChem chemical structure sketcherWolf D Ihlenfeldt, Evan E Bolton, Stephen H Bryant
Journal of Cheminformatics|January 17, 2025
One size does not fit all: revising traditional paradigms for assessing accuracy of QSAR models used for virtual screeningJames Wellnitz, Sankalp Jain, Joshua E Hochuli, et al.
Journal of Cheminformatics|January 17, 2025
Chemical space as a unifying theme for chemistryJean-Louis Reymond
Journal of Cheminformatics|January 13, 2025
Fragmenstein: predicting protein-ligand structures of compounds derived from known crystallographic fragment hits using a strict conserved-binding-based methodologyMatteo P Ferla, Rubén Sánchez-García, Rachael E Skyner, et al.
Journal of Cheminformatics|January 5, 2025
Prediction of Pt, Ir, Ru, and Rh complexes light absorption in the therapeutic window for phototherapy using machine learningV Vigna, T F G G Cova, A A C C Pais, et al.
Journal of Cheminformatics|December 28, 2024
STOUT V2.0: SMILES to IUPAC name conversion using transformer modelsKohulan Rajan, Achim Zielesny, Christoph Steinbeck
Journal of Cheminformatics|December 29, 2024
DeepTGIN: a novel hybrid multimodal approach using transformers and graph isomorphism networks for protein-ligand binding affinity predictionGuishen Wang, Hangchen Zhang, Mengting Shao, et al.
Journal of Cheminformatics|March 11, 2025
Fifteen years of ChEMBL and its role in cheminformatics and drug discoveryBarbara Zdrazil
Pageof 137