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Journal of Cheminformatics
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December 2, 2022
Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds
Jürgen Bajorath, Ana L Chávez-Hernández, Miquel Duran-Frigola, et al.
Journal of Cheminformatics
|
October 1, 2025
Correction: Retrosynthetic crosstalk between single-step reaction and multi-step planning
Junseok Choe, Hajung Kim, Yan Ting Chok, et al.
Journal of Cheminformatics
|
May 26, 2019
Gypsum-DL: an open-source program for preparing small-molecule libraries for structure-based virtual screening
Patrick J Ropp, Jacob O Spiegel, Jennifer L Walker, et al.
Journal of Cheminformatics
|
June 2, 2019
Leveraging heterogeneous data from GHS toxicity annotations, molecular and protein target descriptors and Tox21 assay readouts to predict and rationalise acute toxicity
Chad H G Allen, Lewis H Mervin, Samar Y Mahmoud, et al.
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.
Page
of 144
Search research articles
Search
Showing results (11-20 of 1,431) with videos related to
Sort By:
Page
of 144
Journal of Cheminformatics
|
December 2, 2022
Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds
Jürgen Bajorath, Ana L Chávez-Hernández, Miquel Duran-Frigola, et al.
Journal of Cheminformatics
|
October 1, 2025
Correction: Retrosynthetic crosstalk between single-step reaction and multi-step planning
Junseok Choe, Hajung Kim, Yan Ting Chok, et al.
Journal of Cheminformatics
|
May 26, 2019
Gypsum-DL: an open-source program for preparing small-molecule libraries for structure-based virtual screening
Patrick J Ropp, Jacob O Spiegel, Jennifer L Walker, et al.
Journal of Cheminformatics
|
June 2, 2019
Leveraging heterogeneous data from GHS toxicity annotations, molecular and protein target descriptors and Tox21 assay readouts to predict and rationalise acute toxicity
Chad H G Allen, Lewis H Mervin, Samar Y Mahmoud, et al.
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.
Page
of 144