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Journal of Cheminformatics
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January 12, 2021
kGCN: a graph-based deep learning framework for chemical structures
Ryosuke Kojima, Shoichi Ishida, Masateru Ohta, et al.
Journal of Cheminformatics
|
January 12, 2021
Comparison and improvement of the predictability and interpretability with ensemble learning models in QSPR applications
Chia-Hsiu Chen, Kenichi Tanaka, Masaaki Kotera, et al.
Journal of Cheminformatics
|
January 12, 2021
Activity landscape image analysis using convolutional neural networks
Javed Iqbal, Martin Vogt, Jürgen Bajorath
Journal of Cheminformatics
|
January 12, 2021
KnowTox: pipeline and case study for confident prediction of potential toxic effects of compounds in early phases of development
Andrea Morger, Miriam Mathea, Janosch H Achenbach, et al.
Journal of Cheminformatics
|
January 12, 2021
CHEMSCANNER: extraction and re-use(ability) of chemical information from common scientific documents containing ChemDraw files
An Nguyen, Yu-Chieh Huang, Pierre Tremouilhac, et al.
Journal of Cheminformatics
|
January 12, 2021
SMILES-based deep generative scaffold decorator for de-novo drug design
Josep Arús-Pous, Atanas Patronov, Esben Jannik Bjerrum, et al.
Journal of Cheminformatics
|
January 12, 2021
SYBA: Bayesian estimation of synthetic accessibility of organic compounds
Milan Voršilák, Michal Kolář, Ivan Čmelo, et al.
Journal of Cheminformatics
|
January 12, 2021
QSAR-derived affinity fingerprints (part 2): modeling performance for potency prediction
Isidro Cortés-Ciriano, Ctibor Škuta, Andreas Bender, et al.
Journal of Cheminformatics
|
January 12, 2021
Substructure-based neural machine translation for retrosynthetic prediction
Umit V Ucak, Taek Kang, Junsu Ko, et al.
Journal of Cheminformatics
|
January 12, 2021
AutoGrow4: an open-source genetic algorithm for de novo drug design and lead optimization
Jacob O Spiegel, Jacob D Durrant
Page
of 137
Search research articles
Search
Showing results (491-500 of 1,363) with videos related to
Sort By:
Page
of 137
Journal of Cheminformatics
|
January 12, 2021
kGCN: a graph-based deep learning framework for chemical structures
Ryosuke Kojima, Shoichi Ishida, Masateru Ohta, et al.
Journal of Cheminformatics
|
January 12, 2021
Comparison and improvement of the predictability and interpretability with ensemble learning models in QSPR applications
Chia-Hsiu Chen, Kenichi Tanaka, Masaaki Kotera, et al.
Journal of Cheminformatics
|
January 12, 2021
Activity landscape image analysis using convolutional neural networks
Javed Iqbal, Martin Vogt, Jürgen Bajorath
Journal of Cheminformatics
|
January 12, 2021
KnowTox: pipeline and case study for confident prediction of potential toxic effects of compounds in early phases of development
Andrea Morger, Miriam Mathea, Janosch H Achenbach, et al.
Journal of Cheminformatics
|
January 12, 2021
CHEMSCANNER: extraction and re-use(ability) of chemical information from common scientific documents containing ChemDraw files
An Nguyen, Yu-Chieh Huang, Pierre Tremouilhac, et al.
Journal of Cheminformatics
|
January 12, 2021
SMILES-based deep generative scaffold decorator for de-novo drug design
Josep Arús-Pous, Atanas Patronov, Esben Jannik Bjerrum, et al.
Journal of Cheminformatics
|
January 12, 2021
SYBA: Bayesian estimation of synthetic accessibility of organic compounds
Milan Voršilák, Michal Kolář, Ivan Čmelo, et al.
Journal of Cheminformatics
|
January 12, 2021
QSAR-derived affinity fingerprints (part 2): modeling performance for potency prediction
Isidro Cortés-Ciriano, Ctibor Škuta, Andreas Bender, et al.
Journal of Cheminformatics
|
January 12, 2021
Substructure-based neural machine translation for retrosynthetic prediction
Umit V Ucak, Taek Kang, Junsu Ko, et al.
Journal of Cheminformatics
|
January 12, 2021
AutoGrow4: an open-source genetic algorithm for de novo drug design and lead optimization
Jacob O Spiegel, Jacob D Durrant
Page
of 137