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Journal of cheminformatics

Showing results (611-620 of 1,363) with videos related to

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Journal of Cheminformatics|December 4, 2024
Sort & Slice: a simple and superior alternative to hash-based folding for extended-connectivity fingerprintsMarkus Dablander, Thierry Hanser, Renaud Lambiotte, et al.
Journal of Cheminformatics|November 29, 2023
EMNPD: a comprehensive endophytic microorganism natural products database for prompt the discovery of new bioactive substancesHong-Quan Xu, Huan Xiao, Jin-Hui Bu, et al.
Journal of Cheminformatics|January 23, 2024
Decrypting orphan GPCR drug discovery via multitask learningWei-Cheng Huang, Wei-Ting Lin, Ming-Shiu Hung, et al.
Journal of Cheminformatics|March 30, 2024
Rxn-INSIGHT: fast chemical reaction analysis using bond-electron matricesMaarten R Dobbelaere, István Lengyel, Christian V Stevens, et al.
Journal of Cheminformatics|March 15, 2024
Advancing material property prediction: using physics-informed machine learning models for viscosityAlex K Chew, Matthew Sender, Zachary Kaplan, et al.
Journal of Cheminformatics|March 13, 2024
Systematic analysis, aggregation and visualisation of interaction fingerprints for molecular dynamics simulation dataSabrina Jaeger-Honz, Karsten Klein, Falk Schreiber
Journal of Cheminformatics|September 24, 2024
Computer-aided pattern scoring (C@PS): a novel cheminformatic workflow to predict ligands with rare modes-of-actionSven Marcel Stefan, Katja Stefan, Vigneshwaran Namasivayam
Journal of Cheminformatics|February 20, 2024
Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modelingKamel Mansouri, José T Moreira-Filho, Charles N Lowe, et al.
Journal of Cheminformatics|February 21, 2024
Reinvent 4: Modern AI-driven generative molecule designHannes H Loeffler, Jiazhen He, Alessandro Tibo, et al.
Journal of Cheminformatics|November 21, 2023
YoDe-Segmentation: automated noise-free retrieval of molecular structures from scientific publicationsChong Zhou, Wei Liu, Xiyue Song, et al.
Pageof 137

Showing results (611-620 of 1,363) with videos related to

Sort By:
Pageof 137
Journal of Cheminformatics|December 4, 2024
Sort & Slice: a simple and superior alternative to hash-based folding for extended-connectivity fingerprintsMarkus Dablander, Thierry Hanser, Renaud Lambiotte, et al.
Journal of Cheminformatics|November 29, 2023
EMNPD: a comprehensive endophytic microorganism natural products database for prompt the discovery of new bioactive substancesHong-Quan Xu, Huan Xiao, Jin-Hui Bu, et al.
Journal of Cheminformatics|January 23, 2024
Decrypting orphan GPCR drug discovery via multitask learningWei-Cheng Huang, Wei-Ting Lin, Ming-Shiu Hung, et al.
Journal of Cheminformatics|March 30, 2024
Rxn-INSIGHT: fast chemical reaction analysis using bond-electron matricesMaarten R Dobbelaere, István Lengyel, Christian V Stevens, et al.
Journal of Cheminformatics|March 15, 2024
Advancing material property prediction: using physics-informed machine learning models for viscosityAlex K Chew, Matthew Sender, Zachary Kaplan, et al.
Journal of Cheminformatics|March 13, 2024
Systematic analysis, aggregation and visualisation of interaction fingerprints for molecular dynamics simulation dataSabrina Jaeger-Honz, Karsten Klein, Falk Schreiber
Journal of Cheminformatics|September 24, 2024
Computer-aided pattern scoring (C@PS): a novel cheminformatic workflow to predict ligands with rare modes-of-actionSven Marcel Stefan, Katja Stefan, Vigneshwaran Namasivayam
Journal of Cheminformatics|February 20, 2024
Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modelingKamel Mansouri, José T Moreira-Filho, Charles N Lowe, et al.
Journal of Cheminformatics|February 21, 2024
Reinvent 4: Modern AI-driven generative molecule designHannes H Loeffler, Jiazhen He, Alessandro Tibo, et al.
Journal of Cheminformatics|November 21, 2023
YoDe-Segmentation: automated noise-free retrieval of molecular structures from scientific publicationsChong Zhou, Wei Liu, Xiyue Song, et al.
Pageof 137