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Journal of cheminformatics

Showing results (521-530 of 1,363) with videos related to

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Journal of Cheminformatics|February 18, 2021
Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based modelsDejun Jiang, Zhenxing Wu, Chang-Yu Hsieh, et al.
Journal of Cheminformatics|February 16, 2021
Incorporating structural similarity into a scoring function to enhance the prediction of binding affinitiesBeihong Ji, Xibing He, Yuzhao Zhang, et al.
Journal of Cheminformatics|February 24, 2021
Hybrid semantic recommender system for chemical compounds in large-scale datasetsMarcia Barros, Andre Moitinho, Francisco M Couto
Journal of Cheminformatics|February 5, 2021
ASFP (Artificial Intelligence based Scoring Function Platform): a web server for the development of customized scoring functionsXujun Zhang, Chao Shen, Xueying Guo, et al.
Journal of Cheminformatics|November 16, 2016
Recognizing chemicals in patents: a comparative analysisMaryam Habibi, David Luis Wiegandt, Florian Schmedding, et al.
Journal of Cheminformatics|February 20, 2019
Software solutions for evaluation and visualization of laser ablation inductively coupled plasma mass spectrometry imaging (LA-ICP-MSI) data: a short overviewRalf Weiskirchen, Sabine Weiskirchen, Philipp Kim, et al.
Journal of Cheminformatics|March 5, 2019
CSgator: an integrated web platform for compound set analysisSera Park, Yeajee Kwon, Hyesoo Jung, et al.
Journal of Cheminformatics|November 22, 2018
Improved understanding of aqueous solubility modeling through topological data analysisMariam Pirashvili, Lee Steinberg, Francisco Belchi Guillamon, et al.
Journal of Cheminformatics|February 16, 2019
Dimorphite-DL: an open-source program for enumerating the ionization states of drug-like small moleculesPatrick J Ropp, Jesse C Kaminsky, Sara Yablonski, et al.
Journal of Cheminformatics|February 23, 2017
Database fingerprint (DFP): an approach to represent molecular databasesEli Fernández-de Gortari, César R García-Jacas, Karina Martinez-Mayorga, et al.
Pageof 137

Showing results (521-530 of 1,363) with videos related to

Sort By:
Pageof 137
Journal of Cheminformatics|February 18, 2021
Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based modelsDejun Jiang, Zhenxing Wu, Chang-Yu Hsieh, et al.
Journal of Cheminformatics|February 16, 2021
Incorporating structural similarity into a scoring function to enhance the prediction of binding affinitiesBeihong Ji, Xibing He, Yuzhao Zhang, et al.
Journal of Cheminformatics|February 24, 2021
Hybrid semantic recommender system for chemical compounds in large-scale datasetsMarcia Barros, Andre Moitinho, Francisco M Couto
Journal of Cheminformatics|February 5, 2021
ASFP (Artificial Intelligence based Scoring Function Platform): a web server for the development of customized scoring functionsXujun Zhang, Chao Shen, Xueying Guo, et al.
Journal of Cheminformatics|November 16, 2016
Recognizing chemicals in patents: a comparative analysisMaryam Habibi, David Luis Wiegandt, Florian Schmedding, et al.
Journal of Cheminformatics|February 20, 2019
Software solutions for evaluation and visualization of laser ablation inductively coupled plasma mass spectrometry imaging (LA-ICP-MSI) data: a short overviewRalf Weiskirchen, Sabine Weiskirchen, Philipp Kim, et al.
Journal of Cheminformatics|March 5, 2019
CSgator: an integrated web platform for compound set analysisSera Park, Yeajee Kwon, Hyesoo Jung, et al.
Journal of Cheminformatics|November 22, 2018
Improved understanding of aqueous solubility modeling through topological data analysisMariam Pirashvili, Lee Steinberg, Francisco Belchi Guillamon, et al.
Journal of Cheminformatics|February 16, 2019
Dimorphite-DL: an open-source program for enumerating the ionization states of drug-like small moleculesPatrick J Ropp, Jesse C Kaminsky, Sara Yablonski, et al.
Journal of Cheminformatics|February 23, 2017
Database fingerprint (DFP): an approach to represent molecular databasesEli Fernández-de Gortari, César R García-Jacas, Karina Martinez-Mayorga, et al.
Pageof 137