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Journal of Cheminformatics|September 20, 2025
A comprehensive landscape of AI applications in broad-spectrum drug interaction prediction: a systematic reviewNour H Marzouk, Sahar Selim, Mustafa Elattar, et al.Journal of Cheminformatics|August 19, 2025
Cycle-configuration descriptors: a novel graph-theoretic approach to enhancing molecular inferenceBowen Song, Jianshen Zhu, Naveed Ahmed Azam, et al.Journal of Cheminformatics|June 17, 2025
Crossover operators for molecular graphs with an application to virtual drug screeningNico Domschke, Bruno J Schmidt, Thomas Gatter, et al.Journal of Cheminformatics|June 20, 2025
Shinyscreen: mass spectrometry data inspection and quality checking utilityTodor Kondić, Anjana Elapavalore, Jessy Krier, et al.Journal of Cheminformatics|February 25, 2024
Prediction of chemical reaction yields with large-scale multi-view pre-trainingRunhan Shi, Gufeng Yu, Xiaohong Huo, et al.Journal of Cheminformatics|March 13, 2024
Automated molecular structure segmentation from documents using ChemSAMBowen Tang, Zhangming Niu, Xiaofeng Wang, et al.Journal of Cheminformatics|March 14, 2024
A new workflow for the effective curation of membrane permeability data from open ADME informationTsuyoshi Esaki, Tomoki Yonezawa, Kazuyoshi IkedaJournal of Cheminformatics|April 1, 2024
A general model for predicting enzyme functions based on enzymatic reactionsWenjia Qian, Xiaorui Wang, Yu Kang, et al.Journal of Cheminformatics|July 7, 2024
LVPocket: integrated 3D global-local information to protein binding pockets prediction with transfer learning of protein structure classificationRuifeng Zhou, Jing Fan, Sishu Li, et al.Journal of Cheminformatics|July 19, 2024
piscesCSM: prediction of anticancer synergistic drug combinationsRaghad AlJarf, Carlos H M Rodrigues, Yoochan Myung, et al.Pageof 137