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Journal of Cheminformatics
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May 19, 2025
Assessing interaction recovery of predicted protein-ligand poses
David Errington, Constantin Schneider, Cédric Bouysset, et al.
Journal of Cheminformatics
|
May 19, 2025
Advantages of two quantum programming platforms in quantum computing and quantum chemistry
Pei-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 dissolution
Mengyang 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 lines
Qianrong 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 analysis
Elier E Abreu-Martínez, Karina Martinez-Mayorga, Gabriel Merino
Journal of Cheminformatics
|
February 10, 2026
Enzyformer: a two-stage pretrained model for enzymatic retrosynthesis
Tiantao Liu, Jiangcheng Xu, Xinke Zhan, et al.
Journal of Cheminformatics
|
February 5, 2026
Cosynllm: predicting drug combination synergy with LLM-generated descriptions
Suwan Mao, Wenjie Tang, Li Li, et al.
Journal of Cheminformatics
|
March 22, 2025
Anticipating protein evolution with successor sequence predictor
Rayyan Tariq Khan, Pavel Kohout, Milos Musil, et al.
Journal of Cheminformatics
|
May 10, 2013
The ChEMBL database as linked open data
Egon L Willighagen, Andra Waagmeester, Ola Spjuth, et al.
Journal of Cheminformatics
|
May 23, 2013
JSME: a free molecule editor in JavaScript
Bruno Bienfait, Peter Ertl
Page
of 144
Search research articles
Search
Showing results (51-60 of 1,436) with videos related to
Sort By:
Page
of 144
Journal of Cheminformatics
|
May 19, 2025
Assessing interaction recovery of predicted protein-ligand poses
David Errington, Constantin Schneider, Cédric Bouysset, et al.
Journal of Cheminformatics
|
May 19, 2025
Advantages of two quantum programming platforms in quantum computing and quantum chemistry
Pei-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 dissolution
Mengyang 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 lines
Qianrong 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 analysis
Elier E Abreu-Martínez, Karina Martinez-Mayorga, Gabriel Merino
Journal of Cheminformatics
|
February 10, 2026
Enzyformer: a two-stage pretrained model for enzymatic retrosynthesis
Tiantao Liu, Jiangcheng Xu, Xinke Zhan, et al.
Journal of Cheminformatics
|
February 5, 2026
Cosynllm: predicting drug combination synergy with LLM-generated descriptions
Suwan Mao, Wenjie Tang, Li Li, et al.
Journal of Cheminformatics
|
March 22, 2025
Anticipating protein evolution with successor sequence predictor
Rayyan Tariq Khan, Pavel Kohout, Milos Musil, et al.
Journal of Cheminformatics
|
May 10, 2013
The ChEMBL database as linked open data
Egon L Willighagen, Andra Waagmeester, Ola Spjuth, et al.
Journal of Cheminformatics
|
May 23, 2013
JSME: a free molecule editor in JavaScript
Bruno Bienfait, Peter Ertl
Page
of 144