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Journal of cheminformatics

Showing results (501-510 of 1,363) with videos related to

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Journal of Cheminformatics|January 12, 2021
Atomic ring invariant and Modified CANON extended connectivity algorithm for symmetry perception in molecular graphs and rigorous canonicalization of SMILESDmytro G Krotko
Journal of Cheminformatics|January 12, 2021
spyrmsd: symmetry-corrected RMSD calculations in PythonRocco Meli, Philip C Biggin
Journal of Cheminformatics|January 12, 2021
QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hoppingC Škuta, I Cortés-Ciriano, W Dehaen, et al.
Journal of Cheminformatics|January 12, 2021
The C++ programming language in cheminformatics and computational chemistryDmitrii Rassokhin
Journal of Cheminformatics|January 12, 2021
3DStructGen: an interactive web-based 3D structure generation for non-periodic molecule and crystalPin Chen, Yu Wang, Hui Yan, et al.
Journal of Cheminformatics|June 6, 2022
InflamNat: web-based database and predictor of anti-inflammatory natural productsRuihan Zhang, Shoupeng Ren, Qi Dai, et al.
Journal of Cheminformatics|June 7, 2022
PIKAChU: a Python-based informatics kit for analysing chemical unitsBarbara R Terlouw, Sophie P J M Vromans, Marnix H Medema
Journal of Cheminformatics|June 7, 2022
Analysis of the benefits of imputation models over traditional QSAR models for toxicity predictionMoritz Walter, Luke N Allen, Antonio de la Vega de León, et al.
Journal of Cheminformatics|May 7, 2022
Off-targetP ML: an open source machine learning framework for off-target panel safety assessment of small moleculesDoha Naga, Wolfgang Muster, Eunice Musvasva, et al.
Journal of Cheminformatics|July 6, 2022
LigninGraphs: lignin structure determination with multiscale graph modelingYifan Wang, Jake Kalscheur, Elvis Ebikade, et al.
Pageof 137

Showing results (501-510 of 1,363) with videos related to

Sort By:
Pageof 137
Journal of Cheminformatics|January 12, 2021
Atomic ring invariant and Modified CANON extended connectivity algorithm for symmetry perception in molecular graphs and rigorous canonicalization of SMILESDmytro G Krotko
Journal of Cheminformatics|January 12, 2021
spyrmsd: symmetry-corrected RMSD calculations in PythonRocco Meli, Philip C Biggin
Journal of Cheminformatics|January 12, 2021
QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hoppingC Škuta, I Cortés-Ciriano, W Dehaen, et al.
Journal of Cheminformatics|January 12, 2021
The C++ programming language in cheminformatics and computational chemistryDmitrii Rassokhin
Journal of Cheminformatics|January 12, 2021
3DStructGen: an interactive web-based 3D structure generation for non-periodic molecule and crystalPin Chen, Yu Wang, Hui Yan, et al.
Journal of Cheminformatics|June 6, 2022
InflamNat: web-based database and predictor of anti-inflammatory natural productsRuihan Zhang, Shoupeng Ren, Qi Dai, et al.
Journal of Cheminformatics|June 7, 2022
PIKAChU: a Python-based informatics kit for analysing chemical unitsBarbara R Terlouw, Sophie P J M Vromans, Marnix H Medema
Journal of Cheminformatics|June 7, 2022
Analysis of the benefits of imputation models over traditional QSAR models for toxicity predictionMoritz Walter, Luke N Allen, Antonio de la Vega de León, et al.
Journal of Cheminformatics|May 7, 2022
Off-targetP ML: an open source machine learning framework for off-target panel safety assessment of small moleculesDoha Naga, Wolfgang Muster, Eunice Musvasva, et al.
Journal of Cheminformatics|July 6, 2022
LigninGraphs: lignin structure determination with multiscale graph modelingYifan Wang, Jake Kalscheur, Elvis Ebikade, et al.
Pageof 137