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Journal of cheminformatics

Showing results (51-60 of 1,436) with videos related to

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Journal of Cheminformatics|May 19, 2025
Assessing interaction recovery of predicted protein-ligand posesDavid Errington, Constantin Schneider, Cédric Bouysset, et al.
Journal of Cheminformatics|May 19, 2025
Advantages of two quantum programming platforms in quantum computing and quantum chemistryPei-Hua Wang, Wei-Yeh Wu, Che-Yu Lee, et al.
Journal of Cheminformatics|May 21, 2025
Machine learning-driven generation and screening of potential ionic liquids for cellulose dissolutionMengyang Qu, Gyanendra Sharma, Naoki Wada, et al.
Journal of Cheminformatics|June 10, 2025
UMAP-based clustering split for rigorous evaluation of AI models for virtual screening on cancer cell linesQianrong Guo, Saiveth Hernandez-Hernandez, Pedro J Ballester
Journal of Cheminformatics|February 3, 2026
SPARFlow: a KNIME workflow for integrated structure-activity or structure-property relationship analysisElier E Abreu-Martínez, Karina Martinez-Mayorga, Gabriel Merino
Journal of Cheminformatics|February 10, 2026
Enzyformer: a two-stage pretrained model for enzymatic retrosynthesisTiantao Liu, Jiangcheng Xu, Xinke Zhan, et al.
Journal of Cheminformatics|February 5, 2026
Cosynllm: predicting drug combination synergy with LLM-generated descriptionsSuwan Mao, Wenjie Tang, Li Li, et al.
Journal of Cheminformatics|March 22, 2025
Anticipating protein evolution with successor sequence predictorRayyan Tariq Khan, Pavel Kohout, Milos Musil, et al.
Journal of Cheminformatics|May 10, 2013
The ChEMBL database as linked open dataEgon L Willighagen, Andra Waagmeester, Ola Spjuth, et al.
Journal of Cheminformatics|May 23, 2013
JSME: a free molecule editor in JavaScriptBruno Bienfait, Peter Ertl
Pageof 144

Showing results (51-60 of 1,436) with videos related to

Sort By:
Pageof 144
Journal of Cheminformatics|May 19, 2025
Assessing interaction recovery of predicted protein-ligand posesDavid Errington, Constantin Schneider, Cédric Bouysset, et al.
Journal of Cheminformatics|May 19, 2025
Advantages of two quantum programming platforms in quantum computing and quantum chemistryPei-Hua Wang, Wei-Yeh Wu, Che-Yu Lee, et al.
Journal of Cheminformatics|May 21, 2025
Machine learning-driven generation and screening of potential ionic liquids for cellulose dissolutionMengyang Qu, Gyanendra Sharma, Naoki Wada, et al.
Journal of Cheminformatics|June 10, 2025
UMAP-based clustering split for rigorous evaluation of AI models for virtual screening on cancer cell linesQianrong Guo, Saiveth Hernandez-Hernandez, Pedro J Ballester
Journal of Cheminformatics|February 3, 2026
SPARFlow: a KNIME workflow for integrated structure-activity or structure-property relationship analysisElier E Abreu-Martínez, Karina Martinez-Mayorga, Gabriel Merino
Journal of Cheminformatics|February 10, 2026
Enzyformer: a two-stage pretrained model for enzymatic retrosynthesisTiantao Liu, Jiangcheng Xu, Xinke Zhan, et al.
Journal of Cheminformatics|February 5, 2026
Cosynllm: predicting drug combination synergy with LLM-generated descriptionsSuwan Mao, Wenjie Tang, Li Li, et al.
Journal of Cheminformatics|March 22, 2025
Anticipating protein evolution with successor sequence predictorRayyan Tariq Khan, Pavel Kohout, Milos Musil, et al.
Journal of Cheminformatics|May 10, 2013
The ChEMBL database as linked open dataEgon L Willighagen, Andra Waagmeester, Ola Spjuth, et al.
Journal of Cheminformatics|May 23, 2013
JSME: a free molecule editor in JavaScriptBruno Bienfait, Peter Ertl
Pageof 144