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Journal of cheminformatics

Showing results (621-630 of 1,363) with videos related to

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Journal of Cheminformatics|November 11, 2023
Exploring the known chemical space of the plant kingdom: insights into taxonomic patterns, knowledge gaps, and bioactive regionsDaniel Domingo-Fernández, Yojana Gadiya, Sarah Mubeen, et al.
Journal of Cheminformatics|November 8, 2023
Determining the parent and associated fragment formulae in mass spectrometry via the parent subformula graphSean Li, Björn Bohman, Gavin R Flematti, et al.
Journal of Cheminformatics|October 26, 2023
DeepDelta: predicting ADMET improvements of molecular derivatives with deep learningZachary Fralish, Ashley Chen, Paul Skaluba, et al.
Journal of Cheminformatics|November 3, 2023
DeepSA: a deep-learning driven predictor of compound synthesis accessibilityShihang Wang, Lin Wang, Fenglei Li, et al.
Journal of Cheminformatics|July 4, 2023
TB-IECS: an accurate machine learning-based scoring function for virtual screeningXujun Zhang, Chao Shen, Dejun Jiang, et al.
Journal of Cheminformatics|September 28, 2023
Reliable and accurate prediction of basic pK <math> </math> values in nitrogen compounds: the pK<math> </math> shift in supramolecular systems as a case studyJackson J Alcázar, Alessandra C Misad Saide, Paola R Campodónico
Journal of Cheminformatics|August 30, 2023
Similarity-based pairing improves efficiency of siamese neural networks for regression tasks and uncertainty quantificationYumeng Zhang, Janosch Menke, Jiazhen He, et al.
Journal of Cheminformatics|June 9, 2023
ProfhEX: AI-based platform for small molecules liability profilingFilippo Lunghini, Anna Fava, Vincenzo Pisapia, et al.
Journal of Cheminformatics|May 29, 2023
Improving the quality of chemical language model outcomes with atom-in-SMILES tokenizationUmit V Ucak, Islambek Ashyrmamatov, Juyong Lee
Journal of Cheminformatics|October 18, 2023
Prediction of organic compound aqueous solubility using machine learning: a comparison study of descriptor-based and fingerprints-based modelsArash Tayyebi, Ali S Alshami, Zeinab Rabiei, et al.
Pageof 137

Showing results (621-630 of 1,363) with videos related to

Sort By:
Pageof 137
Journal of Cheminformatics|November 11, 2023
Exploring the known chemical space of the plant kingdom: insights into taxonomic patterns, knowledge gaps, and bioactive regionsDaniel Domingo-Fernández, Yojana Gadiya, Sarah Mubeen, et al.
Journal of Cheminformatics|November 8, 2023
Determining the parent and associated fragment formulae in mass spectrometry via the parent subformula graphSean Li, Björn Bohman, Gavin R Flematti, et al.
Journal of Cheminformatics|October 26, 2023
DeepDelta: predicting ADMET improvements of molecular derivatives with deep learningZachary Fralish, Ashley Chen, Paul Skaluba, et al.
Journal of Cheminformatics|November 3, 2023
DeepSA: a deep-learning driven predictor of compound synthesis accessibilityShihang Wang, Lin Wang, Fenglei Li, et al.
Journal of Cheminformatics|July 4, 2023
TB-IECS: an accurate machine learning-based scoring function for virtual screeningXujun Zhang, Chao Shen, Dejun Jiang, et al.
Journal of Cheminformatics|September 28, 2023
Reliable and accurate prediction of basic pK <math> </math> values in nitrogen compounds: the pK<math> </math> shift in supramolecular systems as a case studyJackson J Alcázar, Alessandra C Misad Saide, Paola R Campodónico
Journal of Cheminformatics|August 30, 2023
Similarity-based pairing improves efficiency of siamese neural networks for regression tasks and uncertainty quantificationYumeng Zhang, Janosch Menke, Jiazhen He, et al.
Journal of Cheminformatics|June 9, 2023
ProfhEX: AI-based platform for small molecules liability profilingFilippo Lunghini, Anna Fava, Vincenzo Pisapia, et al.
Journal of Cheminformatics|May 29, 2023
Improving the quality of chemical language model outcomes with atom-in-SMILES tokenizationUmit V Ucak, Islambek Ashyrmamatov, Juyong Lee
Journal of Cheminformatics|October 18, 2023
Prediction of organic compound aqueous solubility using machine learning: a comparison study of descriptor-based and fingerprints-based modelsArash Tayyebi, Ali S Alshami, Zeinab Rabiei, et al.
Pageof 137