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Journal of Cheminformatics
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February 18, 2021
Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based models
Dejun 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 affinities
Beihong Ji, Xibing He, Yuzhao Zhang, et al.
Journal of Cheminformatics
|
February 24, 2021
Hybrid semantic recommender system for chemical compounds in large-scale datasets
Marcia 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 functions
Xujun Zhang, Chao Shen, Xueying Guo, et al.
Journal of Cheminformatics
|
November 16, 2016
Recognizing chemicals in patents: a comparative analysis
Maryam 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 overview
Ralf Weiskirchen, Sabine Weiskirchen, Philipp Kim, et al.
Journal of Cheminformatics
|
March 5, 2019
CSgator: an integrated web platform for compound set analysis
Sera Park, Yeajee Kwon, Hyesoo Jung, et al.
Journal of Cheminformatics
|
November 22, 2018
Improved understanding of aqueous solubility modeling through topological data analysis
Mariam 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 molecules
Patrick J Ropp, Jesse C Kaminsky, Sara Yablonski, et al.
Journal of Cheminformatics
|
February 23, 2017
Database fingerprint (DFP): an approach to represent molecular databases
Eli Fernández-de Gortari, César R García-Jacas, Karina Martinez-Mayorga, et al.
Page
of 137
Search research articles
Search
Showing results (521-530 of 1,363) with videos related to
Sort By:
Page
of 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 models
Dejun 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 affinities
Beihong Ji, Xibing He, Yuzhao Zhang, et al.
Journal of Cheminformatics
|
February 24, 2021
Hybrid semantic recommender system for chemical compounds in large-scale datasets
Marcia 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 functions
Xujun Zhang, Chao Shen, Xueying Guo, et al.
Journal of Cheminformatics
|
November 16, 2016
Recognizing chemicals in patents: a comparative analysis
Maryam 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 overview
Ralf Weiskirchen, Sabine Weiskirchen, Philipp Kim, et al.
Journal of Cheminformatics
|
March 5, 2019
CSgator: an integrated web platform for compound set analysis
Sera Park, Yeajee Kwon, Hyesoo Jung, et al.
Journal of Cheminformatics
|
November 22, 2018
Improved understanding of aqueous solubility modeling through topological data analysis
Mariam 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 molecules
Patrick J Ropp, Jesse C Kaminsky, Sara Yablonski, et al.
Journal of Cheminformatics
|
February 23, 2017
Database fingerprint (DFP): an approach to represent molecular databases
Eli Fernández-de Gortari, César R García-Jacas, Karina Martinez-Mayorga, et al.
Page
of 137