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 (351-360 of 1,439) with videos related to

Pageof 144
Sort By:
Journal of Cheminformatics|December 29, 2020
Structure-activity relationship-based chemical classification of highly imbalanced Tox21 datasetsGabriel Idakwo, Sundar Thangapandian, Joseph Luttrell, et al.
Journal of Cheminformatics|January 7, 2023
Large-scale prediction of activity cliffs using machine and deep learning methods of increasing complexityShunsuke Tamura, Tomoyuki Miyao, Jürgen Bajorath
Journal of Cheminformatics|January 2, 2023
MORTAR: a rich client application for in silico molecule fragmentationFelix Bänsch, Jonas Schaub, Betül Sevindik, et al.
Journal of Cheminformatics|December 28, 2022
Human-in-the-loop assisted de novo molecular designIiris Sundin, Alexey Voronov, Haoping Xiao, et al.
Journal of Cheminformatics|June 7, 2022
Probabilistic metabolite annotation using retention time prediction and meta-learned projectionsConstantino A García, Alberto Gil-de-la-Fuente, Coral Barbas, et al.
Journal of Cheminformatics|June 7, 2022
Pharmacological affinity fingerprints derived from bioactivity data for the identification of designer drugsKedan He
Journal of Cheminformatics|December 2, 2022
Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compoundsJürgen Bajorath, Ana L Chávez-Hernández, Miquel Duran-Frigola, et al.
Journal of Cheminformatics|October 1, 2025
Correction: Retrosynthetic crosstalk between single-step reaction and multi-step planningJunseok Choe, Hajung Kim, Yan Ting Chok, et al.
Journal of Cheminformatics|May 26, 2019
Gypsum-DL: an open-source program for preparing small-molecule libraries for structure-based virtual screeningPatrick J Ropp, Jacob O Spiegel, Jennifer L Walker, et al.
Journal of Cheminformatics|June 2, 2019
Leveraging heterogeneous data from GHS toxicity annotations, molecular and protein target descriptors and Tox21 assay readouts to predict and rationalise acute toxicityChad H G Allen, Lewis H Mervin, Samar Y Mahmoud, et al.
Pageof 144

Showing results (351-360 of 1,439) with videos related to

Sort By:
Pageof 144
Journal of Cheminformatics|December 29, 2020
Structure-activity relationship-based chemical classification of highly imbalanced Tox21 datasetsGabriel Idakwo, Sundar Thangapandian, Joseph Luttrell, et al.
Journal of Cheminformatics|January 7, 2023
Large-scale prediction of activity cliffs using machine and deep learning methods of increasing complexityShunsuke Tamura, Tomoyuki Miyao, Jürgen Bajorath
Journal of Cheminformatics|January 2, 2023
MORTAR: a rich client application for in silico molecule fragmentationFelix Bänsch, Jonas Schaub, Betül Sevindik, et al.
Journal of Cheminformatics|December 28, 2022
Human-in-the-loop assisted de novo molecular designIiris Sundin, Alexey Voronov, Haoping Xiao, et al.
Journal of Cheminformatics|June 7, 2022
Probabilistic metabolite annotation using retention time prediction and meta-learned projectionsConstantino A García, Alberto Gil-de-la-Fuente, Coral Barbas, et al.
Journal of Cheminformatics|June 7, 2022
Pharmacological affinity fingerprints derived from bioactivity data for the identification of designer drugsKedan He
Journal of Cheminformatics|December 2, 2022
Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compoundsJürgen Bajorath, Ana L Chávez-Hernández, Miquel Duran-Frigola, et al.
Journal of Cheminformatics|October 1, 2025
Correction: Retrosynthetic crosstalk between single-step reaction and multi-step planningJunseok Choe, Hajung Kim, Yan Ting Chok, et al.
Journal of Cheminformatics|May 26, 2019
Gypsum-DL: an open-source program for preparing small-molecule libraries for structure-based virtual screeningPatrick J Ropp, Jacob O Spiegel, Jennifer L Walker, et al.
Journal of Cheminformatics|June 2, 2019
Leveraging heterogeneous data from GHS toxicity annotations, molecular and protein target descriptors and Tox21 assay readouts to predict and rationalise acute toxicityChad H G Allen, Lewis H Mervin, Samar Y Mahmoud, et al.
Pageof 144