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Journal of cheminformatics

Showing results (991-1000 of 1,363) with videos related to

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Journal of Cheminformatics|November 8, 2023
Evaluating uncertainty-based active learning for accelerating the generalization of molecular property predictionTianzhixi Yin, Gihan Panapitiya, Elizabeth D Coda, et al.
Journal of Cheminformatics|September 6, 2023
LOGICS: Learning optimal generative distribution for designing de novo chemical structuresBongsung Bae, Haelee Bae, Hojung Nam
Journal of Cheminformatics|March 27, 2026
Perspective on applicability of data-driven machine learning computational new approach methodologies for hazard identification in chemicals risk assessmentGeven Piir, Sulev Sild, Olga Tcheremenskaia, et al.
Journal of Cheminformatics|April 1, 2026
graphpancake: a Python package for representing organic molecules as molecular graphs utilizing electronic structure theorySneha Sil, Mark A Maskeri, Karl A Scheidt
Journal of Cheminformatics|May 2, 2026
Defining peptides in ChEBISimon Flügel, Till Mossakowski, Fabian Neuhaus, et al.
Journal of Cheminformatics|May 9, 2026
Prediction of intrinsic solubility for drug-like organic compounds using automated network optimizer (ANO) for physicochemical feature and hyperparameter optimizationYou Kyoung Chung, Seung Jin Lee, Junho Lee, et al.
Journal of Cheminformatics|April 23, 2026
ProQSAR: A modular and reproducible framework for small-data QSAR modeling with fit-and-use modelsTuyet-Minh Phan, Tieu-Long Phan, Phuoc-Chung Van-Nguyen, et al.
Journal of Cheminformatics|April 22, 2026
Predictive machine learning models for rational permeability design in de novo macrocycle engineering: a reviewM Taleb Albrijawi, Reda Alhajj
Journal of Cheminformatics|June 3, 2026
MolMeDB RDF: transforming a relational database about biological membranes to the RDF format to increase interoperabilityDominik Martinát, Jakub Juračka, Jakub Galgonek, et al.
Journal of Cheminformatics|May 29, 2026
Helmkit: fast and robust conversion of HELM notation to atomistic representations for large-scale macromolecular informaticsRamon Adàlia, Gemma Sanjuan, Tomàs Margalef, et al.
Pageof 137

Showing results (991-1000 of 1,363) with videos related to

Sort By:
Pageof 137
Journal of Cheminformatics|November 8, 2023
Evaluating uncertainty-based active learning for accelerating the generalization of molecular property predictionTianzhixi Yin, Gihan Panapitiya, Elizabeth D Coda, et al.
Journal of Cheminformatics|September 6, 2023
LOGICS: Learning optimal generative distribution for designing de novo chemical structuresBongsung Bae, Haelee Bae, Hojung Nam
Journal of Cheminformatics|March 27, 2026
Perspective on applicability of data-driven machine learning computational new approach methodologies for hazard identification in chemicals risk assessmentGeven Piir, Sulev Sild, Olga Tcheremenskaia, et al.
Journal of Cheminformatics|April 1, 2026
graphpancake: a Python package for representing organic molecules as molecular graphs utilizing electronic structure theorySneha Sil, Mark A Maskeri, Karl A Scheidt
Journal of Cheminformatics|May 2, 2026
Defining peptides in ChEBISimon Flügel, Till Mossakowski, Fabian Neuhaus, et al.
Journal of Cheminformatics|May 9, 2026
Prediction of intrinsic solubility for drug-like organic compounds using automated network optimizer (ANO) for physicochemical feature and hyperparameter optimizationYou Kyoung Chung, Seung Jin Lee, Junho Lee, et al.
Journal of Cheminformatics|April 23, 2026
ProQSAR: A modular and reproducible framework for small-data QSAR modeling with fit-and-use modelsTuyet-Minh Phan, Tieu-Long Phan, Phuoc-Chung Van-Nguyen, et al.
Journal of Cheminformatics|April 22, 2026
Predictive machine learning models for rational permeability design in de novo macrocycle engineering: a reviewM Taleb Albrijawi, Reda Alhajj
Journal of Cheminformatics|June 3, 2026
MolMeDB RDF: transforming a relational database about biological membranes to the RDF format to increase interoperabilityDominik Martinát, Jakub Juračka, Jakub Galgonek, et al.
Journal of Cheminformatics|May 29, 2026
Helmkit: fast and robust conversion of HELM notation to atomistic representations for large-scale macromolecular informaticsRamon Adàlia, Gemma Sanjuan, Tomàs Margalef, et al.
Pageof 137