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Journal of cheminformatics

Showing results (701-710 of 1,363) with videos related to

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Journal of Cheminformatics|October 12, 2021
Individual and collective human intelligence in drug design: evaluating the search strategyGiovanni Cincilla, Simone Masoni, Jascha Blobel
Journal of Cheminformatics|September 28, 2021
How can SHAP values help to shape metabolic stability of chemical compounds?Agnieszka Wojtuch, Rafał Jankowski, Sabina Podlewska
Journal of Cheminformatics|October 3, 2021
Synergy conformal prediction applied to large-scale bioactivity datasets and in federated learningUlf Norinder, Ola Spjuth, Fredrik Svensson
Journal of Cheminformatics|April 5, 2022
ChemInformatics Model Explorer (CIME): exploratory analysis of chemical model explanationsChristina Humer, Henry Heberle, Floriane Montanari, et al.
Journal of Cheminformatics|March 1, 2022
PSnpBind: a database of mutated binding site protein-ligand complexes constructed using a multithreaded virtual screening workflowAmmar Ammar, Rachel Cavill, Chris Evelo, et al.
Journal of Cheminformatics|January 12, 2011
Prediction of cyclin-dependent kinase 2 inhibitor potency using the fragment molecular orbital methodMichael P Mazanetz, Osamu Ichihara, Richard J Law, et al.
Journal of Cheminformatics|December 15, 2010
Predicting cytotoxicity from heterogeneous data sources with Bayesian learningSarah R Langdon, Joanna Mulgrew, Gaia V Paolini, et al.
Journal of Cheminformatics|May 8, 2015
Multiple conformational states in retrospective virtual screening - homology models vs. crystal structures: beta-2 adrenergic receptor case studyStefan Mordalski, Jagna Witek, Sabina Smusz, et al.
Journal of Cheminformatics|June 18, 2015
A practical Java tool for small-molecule compound appraisalParisa Amani, Todd Sneyd, Sarah Preston, et al.
Journal of Cheminformatics|September 17, 2021
Selecting lines for spectroscopic (re)measurements to improve the accuracy of absolute energies of rovibronic quantum statesPéter Árendás, Tibor Furtenbacher, Attila G Császár
Pageof 137

Showing results (701-710 of 1,363) with videos related to

Sort By:
Pageof 137
Journal of Cheminformatics|October 12, 2021
Individual and collective human intelligence in drug design: evaluating the search strategyGiovanni Cincilla, Simone Masoni, Jascha Blobel
Journal of Cheminformatics|September 28, 2021
How can SHAP values help to shape metabolic stability of chemical compounds?Agnieszka Wojtuch, Rafał Jankowski, Sabina Podlewska
Journal of Cheminformatics|October 3, 2021
Synergy conformal prediction applied to large-scale bioactivity datasets and in federated learningUlf Norinder, Ola Spjuth, Fredrik Svensson
Journal of Cheminformatics|April 5, 2022
ChemInformatics Model Explorer (CIME): exploratory analysis of chemical model explanationsChristina Humer, Henry Heberle, Floriane Montanari, et al.
Journal of Cheminformatics|March 1, 2022
PSnpBind: a database of mutated binding site protein-ligand complexes constructed using a multithreaded virtual screening workflowAmmar Ammar, Rachel Cavill, Chris Evelo, et al.
Journal of Cheminformatics|January 12, 2011
Prediction of cyclin-dependent kinase 2 inhibitor potency using the fragment molecular orbital methodMichael P Mazanetz, Osamu Ichihara, Richard J Law, et al.
Journal of Cheminformatics|December 15, 2010
Predicting cytotoxicity from heterogeneous data sources with Bayesian learningSarah R Langdon, Joanna Mulgrew, Gaia V Paolini, et al.
Journal of Cheminformatics|May 8, 2015
Multiple conformational states in retrospective virtual screening - homology models vs. crystal structures: beta-2 adrenergic receptor case studyStefan Mordalski, Jagna Witek, Sabina Smusz, et al.
Journal of Cheminformatics|June 18, 2015
A practical Java tool for small-molecule compound appraisalParisa Amani, Todd Sneyd, Sarah Preston, et al.
Journal of Cheminformatics|September 17, 2021
Selecting lines for spectroscopic (re)measurements to improve the accuracy of absolute energies of rovibronic quantum statesPéter Árendás, Tibor Furtenbacher, Attila G Császár
Pageof 137