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Molecular Informatics
|
July 29, 2016
CADASTER QSPR Models for Predictions of Melting and Boiling Points of Perfluorinated Chemicals
Barun Bhhatarai, Wolfram Teetz, Tao Liu, et al.
Journal of Inorganic Biochemistry
|
March 18, 2025
Online OCHEM multi-task model for solubility and lipophilicity prediction of platinum complexes
Nesma Mousa, Hristo P Varbanov, Vidya Kaipanchery, et al.
Bioinformatics (Oxford, England)
|
March 17, 2005
MIPS bacterial genomes functional annotation benchmark dataset
Igor V Tetko, Barbara Brauner, Irmtraud Dunger-Kaltenbach, et al.
Antibiotics (Basel, Switzerland)
|
April 23, 2022
Theoretical and Experimental Studies of Phosphonium Ionic Liquids as Potential Antibacterials of MDR <i>Acinetobacter baumannii</i>
Larysa O Metelytsia, Diana M Hodyna, Ivan V Semenyuta, et al.
Chemical Biology & Drug Design
|
March 15, 2018
Rational design of isonicotinic acid hydrazide derivatives with antitubercular activity: Machine learning, molecular docking, synthesis and biological testing
Vasyl Kovalishyn, Julie Grouleff, Ivan Semenyuta, et al.
International Journal of Molecular Sciences
|
January 12, 2021
Structure-Activity Relationship Modeling and Experimental Validation of the Imidazolium and Pyridinium Based Ionic Liquids as Potential Antibacterials of MDR <i>Acinetobacter Baumannii</i> and <i>Staphylococcus Aureus</i>
Ivan V Semenyuta, Maria M Trush, Vasyl V Kovalishyn, et al.
Journal of Chemical Information and Modeling
|
March 28, 2006
Benchmarking of linear and nonlinear approaches for quantitative structure-property relationship studies of metal complexation with ionophores
Igor V Tetko, Vitaly P Solov'ev, Alexey V Antonov, et al.
Journal of Biomolecular Screening
|
April 6, 2016
Identification of Small-Molecule Frequent Hitters of Glutathione S-Transferase-Glutathione Interaction
Jara K Brenke, Elena S Salmina, Larissa Ringelstetter, et al.
Alternatives to Laboratory Animals : ATLA
|
April 30, 2014
Experimental and theoretical studies in the EU FP7 Marie Curie Initial Training Network Project, Environmental ChemOinformatics (ECO)
Igor V Tetko, Karl-Werner Schramm, Thomas Knepper, et al.
Journal of Computer-Aided Molecular Design
|
October 19, 2005
Virtual computational chemistry laboratory--design and description
Igor V Tetko, Johann Gasteiger, Roberto Todeschini, et al.
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of 13
Search research articles
Search
Showing results (101-110 of 126) with videos related to
Sort By:
Page
of 13
Molecular Informatics
|
July 29, 2016
CADASTER QSPR Models for Predictions of Melting and Boiling Points of Perfluorinated Chemicals
Barun Bhhatarai, Wolfram Teetz, Tao Liu, et al.
Journal of Inorganic Biochemistry
|
March 18, 2025
Online OCHEM multi-task model for solubility and lipophilicity prediction of platinum complexes
Nesma Mousa, Hristo P Varbanov, Vidya Kaipanchery, et al.
Bioinformatics (Oxford, England)
|
March 17, 2005
MIPS bacterial genomes functional annotation benchmark dataset
Igor V Tetko, Barbara Brauner, Irmtraud Dunger-Kaltenbach, et al.
Antibiotics (Basel, Switzerland)
|
April 23, 2022
Theoretical and Experimental Studies of Phosphonium Ionic Liquids as Potential Antibacterials of MDR <i>Acinetobacter baumannii</i>
Larysa O Metelytsia, Diana M Hodyna, Ivan V Semenyuta, et al.
Chemical Biology & Drug Design
|
March 15, 2018
Rational design of isonicotinic acid hydrazide derivatives with antitubercular activity: Machine learning, molecular docking, synthesis and biological testing
Vasyl Kovalishyn, Julie Grouleff, Ivan Semenyuta, et al.
International Journal of Molecular Sciences
|
January 12, 2021
Structure-Activity Relationship Modeling and Experimental Validation of the Imidazolium and Pyridinium Based Ionic Liquids as Potential Antibacterials of MDR <i>Acinetobacter Baumannii</i> and <i>Staphylococcus Aureus</i>
Ivan V Semenyuta, Maria M Trush, Vasyl V Kovalishyn, et al.
Journal of Chemical Information and Modeling
|
March 28, 2006
Benchmarking of linear and nonlinear approaches for quantitative structure-property relationship studies of metal complexation with ionophores
Igor V Tetko, Vitaly P Solov'ev, Alexey V Antonov, et al.
Journal of Biomolecular Screening
|
April 6, 2016
Identification of Small-Molecule Frequent Hitters of Glutathione S-Transferase-Glutathione Interaction
Jara K Brenke, Elena S Salmina, Larissa Ringelstetter, et al.
Alternatives to Laboratory Animals : ATLA
|
April 30, 2014
Experimental and theoretical studies in the EU FP7 Marie Curie Initial Training Network Project, Environmental ChemOinformatics (ECO)
Igor V Tetko, Karl-Werner Schramm, Thomas Knepper, et al.
Journal of Computer-Aided Molecular Design
|
October 19, 2005
Virtual computational chemistry laboratory--design and description
Igor V Tetko, Johann Gasteiger, Roberto Todeschini, et al.
Page
of 13