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Journal of Cheminformatics
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June 3, 2015
Applying DEKOIS 2.0 in structure-based virtual screening to probe the impact of preparation procedures and score normalization
Tamer M Ibrahim, Matthias R Bauer, Frank M Boeckler
Journal of Cheminformatics
|
June 23, 2015
SANCDB: a South African natural compound database
Rowan Hatherley, David K Brown, Thommas M Musyoka, et al.
Journal of Cheminformatics
|
August 20, 2022
Predicting the mutation effects of protein-ligand interactions via end-point binding free energy calculations: strategies and analyses
Yang Yu, Zhe Wang, Lingling Wang, et al.
Journal of Cheminformatics
|
August 24, 2022
European Registry of Materials: global, unique identifiers for (undisclosed) nanomaterials
Jeaphianne van Rijn, Antreas Afantitis, Mustafa Culha, et al.
Journal of Cheminformatics
|
September 21, 2021
Investigation of pharmacological mechanism of natural product using pathway fingerprints similarity based on "drug-target-pathway" heterogenous network
Feifei Guo, Chunhong Jiang, Yujie Xi, et al.
Journal of Cheminformatics
|
May 6, 2021
SANCDB: an update on South African natural compounds and their readily available analogs
Bakary N'tji Diallo, Michael Glenister, Thommas M Musyoka, et al.
Journal of Cheminformatics
|
April 28, 2021
STOUT: SMILES to IUPAC names using neural machine translation
Kohulan Rajan, Achim Zielesny, Christoph Steinbeck
Journal of Cheminformatics
|
August 13, 2022
Chemical named entity recognition in the texts of scientific publications using the naïve Bayes classifier approach
O A Tarasova, A V Rudik, N Yu Biziukova, et al.
Journal of Cheminformatics
|
December 9, 2025
SLICE (SMARTS and Logic In ChEmistry): fast generation of molecules using advanced chemical synthesis logic and modern coding style
Stefi Nouleho Ilemo, Victorien Delannée, Olga Grushin, et al.
Journal of Cheminformatics
|
December 6, 2025
Ionization efficiency prediction of electrospray ionization mass spectrometry analytes based on molecular fingerprints and cumulative neutral losses
Alexandros Nikolopoulos, Denice van Herwerden, Viktoriia Turkina, et al.
Page
of 137
Search research articles
Search
Showing results (931-940 of 1,363) with videos related to
Sort By:
Page
of 137
Journal of Cheminformatics
|
June 3, 2015
Applying DEKOIS 2.0 in structure-based virtual screening to probe the impact of preparation procedures and score normalization
Tamer M Ibrahim, Matthias R Bauer, Frank M Boeckler
Journal of Cheminformatics
|
June 23, 2015
SANCDB: a South African natural compound database
Rowan Hatherley, David K Brown, Thommas M Musyoka, et al.
Journal of Cheminformatics
|
August 20, 2022
Predicting the mutation effects of protein-ligand interactions via end-point binding free energy calculations: strategies and analyses
Yang Yu, Zhe Wang, Lingling Wang, et al.
Journal of Cheminformatics
|
August 24, 2022
European Registry of Materials: global, unique identifiers for (undisclosed) nanomaterials
Jeaphianne van Rijn, Antreas Afantitis, Mustafa Culha, et al.
Journal of Cheminformatics
|
September 21, 2021
Investigation of pharmacological mechanism of natural product using pathway fingerprints similarity based on "drug-target-pathway" heterogenous network
Feifei Guo, Chunhong Jiang, Yujie Xi, et al.
Journal of Cheminformatics
|
May 6, 2021
SANCDB: an update on South African natural compounds and their readily available analogs
Bakary N'tji Diallo, Michael Glenister, Thommas M Musyoka, et al.
Journal of Cheminformatics
|
April 28, 2021
STOUT: SMILES to IUPAC names using neural machine translation
Kohulan Rajan, Achim Zielesny, Christoph Steinbeck
Journal of Cheminformatics
|
August 13, 2022
Chemical named entity recognition in the texts of scientific publications using the naïve Bayes classifier approach
O A Tarasova, A V Rudik, N Yu Biziukova, et al.
Journal of Cheminformatics
|
December 9, 2025
SLICE (SMARTS and Logic In ChEmistry): fast generation of molecules using advanced chemical synthesis logic and modern coding style
Stefi Nouleho Ilemo, Victorien Delannée, Olga Grushin, et al.
Journal of Cheminformatics
|
December 6, 2025
Ionization efficiency prediction of electrospray ionization mass spectrometry analytes based on molecular fingerprints and cumulative neutral losses
Alexandros Nikolopoulos, Denice van Herwerden, Viktoriia Turkina, et al.
Page
of 137