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Journal of cheminformatics

Showing results (1011-1020 of 1,363) with videos related to

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Journal of Cheminformatics|July 1, 2026
Unified heterogeneity-aware benchmark of drug synergy prediction: a cross-study analysis of traditional machine learning and graph deep learning modelsYingjuan Cheng, Qing Ye, Linlong Jiang, et al.
Journal of Cheminformatics|July 16, 2026
EvoDiffMol: evolutionary diffusion framework for 3D molecular design with optimized propertiesXiaobo Lin, Logan T Kearney, Zhaoqian Su, et al.
Journal of Cheminformatics|October 17, 2022
Scalable training of graph convolutional neural networks for fast and accurate predictions of HOMO-LUMO gap in moleculesJong Youl Choi, Pei Zhang, Kshitij Mehta, et al.
Journal of Cheminformatics|October 27, 2015
AtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like moleculesCrina-Maria Ionescu, David Sehnal, Francesco L Falginella, et al.
Journal of Cheminformatics|June 14, 2016
Literature information in PubChem: associations between PubChem records and scientific articlesSunghwan Kim, Paul A Thiessen, Tiejun Cheng, et al.
Journal of Cheminformatics|May 6, 2016
A machine learning correction for DFT non-covalent interactions based on the S22, S66 and X40 benchmark databasesTing Gao, Hongzhi Li, Wenze Li, et al.
Journal of Cheminformatics|May 6, 2016
Web-based 3D-visualization of the DrugBank chemical spaceMahendra Awale, Jean-Louis Reymond
Journal of Cheminformatics|November 22, 2013
Complementary PLS and KNN algorithms for improved 3D-QSDAR consensus modeling of AhR bindingSvetoslav H Slavov, Bruce A Pearce, Dan A Buzatu, et al.
Journal of Cheminformatics|August 15, 2015
Robust optimization of SVM hyperparameters in the classification of bioactive compoundsWojciech M Czarnecki, Sabina Podlewska, Andrzej J Bojarski
Journal of Cheminformatics|April 26, 2016
Collaborative decision support and documentation in chemical safety with KnowSECJoachim Baumeister, Albrecht Striffler, Marc Brandt, et al.
Pageof 137

Showing results (1011-1020 of 1,363) with videos related to

Sort By:
Pageof 137
Journal of Cheminformatics|July 1, 2026
Unified heterogeneity-aware benchmark of drug synergy prediction: a cross-study analysis of traditional machine learning and graph deep learning modelsYingjuan Cheng, Qing Ye, Linlong Jiang, et al.
Journal of Cheminformatics|July 16, 2026
EvoDiffMol: evolutionary diffusion framework for 3D molecular design with optimized propertiesXiaobo Lin, Logan T Kearney, Zhaoqian Su, et al.
Journal of Cheminformatics|October 17, 2022
Scalable training of graph convolutional neural networks for fast and accurate predictions of HOMO-LUMO gap in moleculesJong Youl Choi, Pei Zhang, Kshitij Mehta, et al.
Journal of Cheminformatics|October 27, 2015
AtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like moleculesCrina-Maria Ionescu, David Sehnal, Francesco L Falginella, et al.
Journal of Cheminformatics|June 14, 2016
Literature information in PubChem: associations between PubChem records and scientific articlesSunghwan Kim, Paul A Thiessen, Tiejun Cheng, et al.
Journal of Cheminformatics|May 6, 2016
A machine learning correction for DFT non-covalent interactions based on the S22, S66 and X40 benchmark databasesTing Gao, Hongzhi Li, Wenze Li, et al.
Journal of Cheminformatics|May 6, 2016
Web-based 3D-visualization of the DrugBank chemical spaceMahendra Awale, Jean-Louis Reymond
Journal of Cheminformatics|November 22, 2013
Complementary PLS and KNN algorithms for improved 3D-QSDAR consensus modeling of AhR bindingSvetoslav H Slavov, Bruce A Pearce, Dan A Buzatu, et al.
Journal of Cheminformatics|August 15, 2015
Robust optimization of SVM hyperparameters in the classification of bioactive compoundsWojciech M Czarnecki, Sabina Podlewska, Andrzej J Bojarski
Journal of Cheminformatics|April 26, 2016
Collaborative decision support and documentation in chemical safety with KnowSECJoachim Baumeister, Albrecht Striffler, Marc Brandt, et al.
Pageof 137