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Journal of Cheminformatics
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June 8, 2010
Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining
Kristina M Hettne, Antony J Williams, Erik M van Mulligen, et al.
Journal of Cheminformatics
|
October 30, 2010
MOLA: a bootable, self-configuring system for virtual screening using AutoDock4/Vina on computer clusters
Rui Mv Abreu, Hugo Jc Froufe, Maria João Rp Queiroz, et al.
Journal of Cheminformatics
|
January 12, 2011
jCompoundMapper: An open source Java library and command-line tool for chemical fingerprints
Georg Hinselmann, Lars Rosenbaum, Andreas Jahn, et al.
Journal of Cheminformatics
|
January 11, 2011
CurlySMILES: a chemical language to customize and annotate encodings of molecular and nanodevice structures
Axel Drefahl
Journal of Cheminformatics
|
February 1, 2011
Modular Chemical Descriptor Language (MCDL): Stereochemical modules
Andrei A Gakh, Michael N Burnett, Sergei V Trepalin, et al.
Journal of Cheminformatics
|
February 9, 2011
Use of structure-activity landscape index curves and curve integrals to evaluate the performance of multiple machine learning prediction models
Norman C Ledonne, Kevin Rissolo, James Bulgarelli, et al.
Journal of Cheminformatics
|
May 11, 2011
PubChem3D: Similar conformers
Evan E Bolton, Sunghwan Kim, Stephen H Bryant
Journal of Cheminformatics
|
March 26, 2021
SMPLIP-Score: predicting ligand binding affinity from simple and interpretable on-the-fly interaction fingerprint pattern descriptors
Surendra Kumar, Mi-Hyun Kim
Journal of Cheminformatics
|
June 16, 2016
IDAAPM: integrated database of ADMET and adverse effects of predictive modeling based on FDA approved drug data
Ashenafi Legehar, Henri Xhaard, Leo Ghemtio
Journal of Cheminformatics
|
June 9, 2016
Are the physicochemical properties of antibacterial compounds really different from other drugs?
Jean-Paul Ebejer, Michael H Charlton, Paul W Finn
Page
of 144
Search research articles
Search
Showing results (361-370 of 1,439) with videos related to
Sort By:
Page
of 144
Journal of Cheminformatics
|
June 8, 2010
Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining
Kristina M Hettne, Antony J Williams, Erik M van Mulligen, et al.
Journal of Cheminformatics
|
October 30, 2010
MOLA: a bootable, self-configuring system for virtual screening using AutoDock4/Vina on computer clusters
Rui Mv Abreu, Hugo Jc Froufe, Maria João Rp Queiroz, et al.
Journal of Cheminformatics
|
January 12, 2011
jCompoundMapper: An open source Java library and command-line tool for chemical fingerprints
Georg Hinselmann, Lars Rosenbaum, Andreas Jahn, et al.
Journal of Cheminformatics
|
January 11, 2011
CurlySMILES: a chemical language to customize and annotate encodings of molecular and nanodevice structures
Axel Drefahl
Journal of Cheminformatics
|
February 1, 2011
Modular Chemical Descriptor Language (MCDL): Stereochemical modules
Andrei A Gakh, Michael N Burnett, Sergei V Trepalin, et al.
Journal of Cheminformatics
|
February 9, 2011
Use of structure-activity landscape index curves and curve integrals to evaluate the performance of multiple machine learning prediction models
Norman C Ledonne, Kevin Rissolo, James Bulgarelli, et al.
Journal of Cheminformatics
|
May 11, 2011
PubChem3D: Similar conformers
Evan E Bolton, Sunghwan Kim, Stephen H Bryant
Journal of Cheminformatics
|
March 26, 2021
SMPLIP-Score: predicting ligand binding affinity from simple and interpretable on-the-fly interaction fingerprint pattern descriptors
Surendra Kumar, Mi-Hyun Kim
Journal of Cheminformatics
|
June 16, 2016
IDAAPM: integrated database of ADMET and adverse effects of predictive modeling based on FDA approved drug data
Ashenafi Legehar, Henri Xhaard, Leo Ghemtio
Journal of Cheminformatics
|
June 9, 2016
Are the physicochemical properties of antibacterial compounds really different from other drugs?
Jean-Paul Ebejer, Michael H Charlton, Paul W Finn
Page
of 144