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Journal of Cheminformatics
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March 14, 2017
Nontargeted homologue series extraction from hyphenated high resolution mass spectrometry data
Martin Loos, Heinz Singer
Journal of Cheminformatics
|
March 10, 2019
Design, implementation, and operation of a rapid, robust named entity recognition web service
Sune Pletscher-Frankild, Lars Juhl Jensen
Journal of Cheminformatics
|
August 10, 2019
Combining structural and bioactivity-based fingerprints improves prediction performance and scaffold hopping capability
Oliver Laufkötter, Noé Sturm, Jürgen Bajorath, et al.
Journal of Cheminformatics
|
April 4, 2019
QligFEP: an automated workflow for small molecule free energy calculations in Q
Willem Jespers, Mauricio Esguerra, Johan Åqvist, et al.
Journal of Cheminformatics
|
April 1, 2014
Cross-validation pitfalls when selecting and assessing regression and classification models
Damjan Krstajic, Ljubomir J Buturovic, David E Leahy, et al.
Journal of Cheminformatics
|
February 11, 2017
NPCARE: database of natural products and fractional extracts for cancer regulation
Hwanho Choi, Sun Young Cho, Ho Jeong Pak, et al.
Journal of Cheminformatics
|
November 1, 2016
SciData: a data model and ontology for semantic representation of scientific data
Stuart J Chalk
Journal of Cheminformatics
|
February 4, 2014
Data model, dictionaries, and desiderata for biomolecular simulation data indexing and sharing
Julien C Thibault, Daniel R Roe, Julio C Facelli, et al.
Journal of Cheminformatics
|
March 16, 2019
KMR: knowledge-oriented medicine representation learning for drug-drug interaction and similarity computation
Ying Shen, Kaiqi Yuan, Min Yang, et al.
Journal of Cheminformatics
|
March 21, 2017
Computational methods for prediction of in vitro effects of new chemical structures
Priyanka Banerjee, Vishal B Siramshetty, Malgorzata N Drwal, et al.
Page
of 137
Search research articles
Search
Showing results (531-540 of 1,363) with videos related to
Sort By:
Page
of 137
Journal of Cheminformatics
|
March 14, 2017
Nontargeted homologue series extraction from hyphenated high resolution mass spectrometry data
Martin Loos, Heinz Singer
Journal of Cheminformatics
|
March 10, 2019
Design, implementation, and operation of a rapid, robust named entity recognition web service
Sune Pletscher-Frankild, Lars Juhl Jensen
Journal of Cheminformatics
|
August 10, 2019
Combining structural and bioactivity-based fingerprints improves prediction performance and scaffold hopping capability
Oliver Laufkötter, Noé Sturm, Jürgen Bajorath, et al.
Journal of Cheminformatics
|
April 4, 2019
QligFEP: an automated workflow for small molecule free energy calculations in Q
Willem Jespers, Mauricio Esguerra, Johan Åqvist, et al.
Journal of Cheminformatics
|
April 1, 2014
Cross-validation pitfalls when selecting and assessing regression and classification models
Damjan Krstajic, Ljubomir J Buturovic, David E Leahy, et al.
Journal of Cheminformatics
|
February 11, 2017
NPCARE: database of natural products and fractional extracts for cancer regulation
Hwanho Choi, Sun Young Cho, Ho Jeong Pak, et al.
Journal of Cheminformatics
|
November 1, 2016
SciData: a data model and ontology for semantic representation of scientific data
Stuart J Chalk
Journal of Cheminformatics
|
February 4, 2014
Data model, dictionaries, and desiderata for biomolecular simulation data indexing and sharing
Julien C Thibault, Daniel R Roe, Julio C Facelli, et al.
Journal of Cheminformatics
|
March 16, 2019
KMR: knowledge-oriented medicine representation learning for drug-drug interaction and similarity computation
Ying Shen, Kaiqi Yuan, Min Yang, et al.
Journal of Cheminformatics
|
March 21, 2017
Computational methods for prediction of in vitro effects of new chemical structures
Priyanka Banerjee, Vishal B Siramshetty, Malgorzata N Drwal, et al.
Page
of 137