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Journal of Cheminformatics
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January 12, 2021
SAR and QSAR modeling of a large collection of LD<sub>50</sub> rat acute oral toxicity data
Domenico Gadaleta, Kristijan Vuković, Cosimo Toma, et al.
Journal of Cheminformatics
|
January 12, 2021
ADMET evaluation in drug discovery. 20. Prediction of breast cancer resistance protein inhibition through machine learning
Dejun Jiang, Tailong Lei, Zhe Wang, et al.
Journal of Cheminformatics
|
January 12, 2021
Towards reproducible computational drug discovery
Nalini Schaduangrat, Samuel Lampa, Saw Simeon, et al.
Journal of Cheminformatics
|
January 12, 2021
GEN: highly efficient SMILES explorer using autodidactic generative examination networks
Ruud van Deursen, Peter Ertl, Igor V Tetko, et al.
Journal of Cheminformatics
|
January 12, 2021
HastaLaVista, a web-based user interface for NMR-based untargeted metabolic profiling analysis in biomedical sciences: towards a new publication standard
Julien Wist
Journal of Cheminformatics
|
January 12, 2021
Craig plot 2.0: an interactive navigation in the substituent bioisosteric space
Peter Ertl
Journal of Cheminformatics
|
January 12, 2021
CompRet: a comprehensive recommendation framework for chemical synthesis planning with algorithmic enumeration
Ryosuke Shibukawa, Shoichi Ishida, Kazuki Yoshizoe, et al.
Journal of Cheminformatics
|
January 12, 2021
Mol-CycleGAN: a generative model for molecular optimization
Łukasz Maziarka, Agnieszka Pocha, Jan Kaczmarczyk, et al.
Journal of Cheminformatics
|
January 12, 2021
Development of Natural Compound Molecular Fingerprint (NC-MFP) with the Dictionary of Natural Products (DNP) for natural product-based drug development
Myungwon Seo, Hyun Kil Shin, Yoochan Myung, et al.
Journal of Cheminformatics
|
January 12, 2021
One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome
Alice Capecchi, Daniel Probst, Jean-Louis Reymond
Page
of 137
Search research articles
Search
Showing results (831-840 of 1,363) with videos related to
Sort By:
Page
of 137
Journal of Cheminformatics
|
January 12, 2021
SAR and QSAR modeling of a large collection of LD<sub>50</sub> rat acute oral toxicity data
Domenico Gadaleta, Kristijan Vuković, Cosimo Toma, et al.
Journal of Cheminformatics
|
January 12, 2021
ADMET evaluation in drug discovery. 20. Prediction of breast cancer resistance protein inhibition through machine learning
Dejun Jiang, Tailong Lei, Zhe Wang, et al.
Journal of Cheminformatics
|
January 12, 2021
Towards reproducible computational drug discovery
Nalini Schaduangrat, Samuel Lampa, Saw Simeon, et al.
Journal of Cheminformatics
|
January 12, 2021
GEN: highly efficient SMILES explorer using autodidactic generative examination networks
Ruud van Deursen, Peter Ertl, Igor V Tetko, et al.
Journal of Cheminformatics
|
January 12, 2021
HastaLaVista, a web-based user interface for NMR-based untargeted metabolic profiling analysis in biomedical sciences: towards a new publication standard
Julien Wist
Journal of Cheminformatics
|
January 12, 2021
Craig plot 2.0: an interactive navigation in the substituent bioisosteric space
Peter Ertl
Journal of Cheminformatics
|
January 12, 2021
CompRet: a comprehensive recommendation framework for chemical synthesis planning with algorithmic enumeration
Ryosuke Shibukawa, Shoichi Ishida, Kazuki Yoshizoe, et al.
Journal of Cheminformatics
|
January 12, 2021
Mol-CycleGAN: a generative model for molecular optimization
Łukasz Maziarka, Agnieszka Pocha, Jan Kaczmarczyk, et al.
Journal of Cheminformatics
|
January 12, 2021
Development of Natural Compound Molecular Fingerprint (NC-MFP) with the Dictionary of Natural Products (DNP) for natural product-based drug development
Myungwon Seo, Hyun Kil Shin, Yoochan Myung, et al.
Journal of Cheminformatics
|
January 12, 2021
One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome
Alice Capecchi, Daniel Probst, Jean-Louis Reymond
Page
of 137