المؤلفون: Greg Landrum, Paolo Tosco, Brian Kelley, Ricardo Rodriguez, David Cosgrove, Riccardo Vianello, sriniker, Peter Gedeck, Gareth Jones, NadineSchneider, Eisuke Kawashima, Dan Nealschneider, Andrew Dalke, Matt Swain, Brian Cole, Samo Turk, Aleksandr Savelev, Alain Vaucher, Maciej Wójcikowski, Ichiru Take, tadhurst-cdd, Vincent F. Scalfani, Rachel Walker, Daniel Probst, Kazuya Ujihara, Juuso Lehtivarjo, guillaume godin, Axel Pahl, François Bérenger, Hussein Faara

Relation: https://github.com/rdkit/rdkit/tree/Release_2024_09_3; https://doi.org/10.5281/zenodo.591637; https://doi.org/10.5281/zenodo.14245989; oai:zenodo.org:14245989

الاتاحة: https://doi.org/10.5281/zenodo.14245989

المؤلفون: Greg Landrum, Paolo Tosco, Brian Kelley, Ricardo Rodriguez, David Cosgrove, Riccardo Vianello, sriniker, Peter Gedeck, Gareth Jones, NadineSchneider, Eisuke Kawashima, Dan Nealschneider, Andrew Dalke, Matt Swain, Brian Cole, Samo Turk, Aleksandr Savelev, Alain Vaucher, Maciej Wójcikowski, Ichiru Take, Vincent F. Scalfani, Rachel Walker, Daniel Probst, Kazuya Ujihara, Axel Pahl, guillaume godin, Juuso Lehtivarjo, tadhurst-cdd, François Bérenger, Jonathan Bisson

Relation: https://github.com/rdkit/rdkit/tree/Release_2024_09_1b1; https://doi.org/10.5281/zenodo.591637; https://doi.org/10.5281/zenodo.13820100; oai:zenodo.org:13820100

الاتاحة: https://doi.org/10.5281/zenodo.13820100

المؤلفون: Greg Landrum, Paolo Tosco, Brian Kelley, Ric, David Cosgrove, sriniker, Riccardo Vianello, gedeck, NadineSchneider, Gareth Jones, Eisuke Kawashima, Dan N, Andrew Dalke, Brian Cole, Matt Swain, Samo Turk, Aleksandr Savelev, Alain Vaucher, Maciej Wójcikowski, Ichiru Take, Vincent F. Scalfani, Daniel Probst, Kazuya Ujihara, guillaume godin, Axel Pahl, Rachel Walker, Juuso Lehtivarjo, Francois Berenger, strets123, jasondbiggs

Relation: https://github.com/rdkit/rdkit/tree/Release_2023_09_5; https://doi.org/10.5281/zenodo.591637; https://doi.org/10.5281/zenodo.10633624; oai:zenodo.org:10633624

الاتاحة: https://doi.org/10.5281/zenodo.10633624

المؤلفون: Greg Landrum, Paolo Tosco, Brian Kelley, Ric, David Cosgrove, sriniker, gedeck, Riccardo Vianello, NadineSchneider, Eisuke Kawashima, Gareth Jones, Dan N, Andrew Dalke, Brian Cole, Matt Swain, Samo Turk, AlexanderSavelyev, Alain Vaucher, Maciej Wójcikowski, Ichiru Take, Vincent F. Scalfani, Daniel Probst, Kazuya Ujihara, guillaume godin, Rachel Walker, Juuso Lehtivarjo, Axel Pahl, Francois Berenger, jasondbiggs, strets123

Relation: https://github.com/rdkit/rdkit/tree/Release_2023_09_3; https://doi.org/10.5281/zenodo.591637; https://doi.org/10.5281/zenodo.10275225; oai:zenodo.org:10275225

الاتاحة: https://doi.org/10.5281/zenodo.10275225

المؤلفون: Greg Landrum, Paolo Tosco, Brian Kelley, Ric, David Cosgrove, sriniker, gedeck, Riccardo Vianello, NadineSchneider, Eisuke Kawashima, Dan N, Gareth Jones, Andrew Dalke, Brian Cole, Matt Swain, Samo Turk, AlexanderSavelyev, Alain Vaucher, Maciej Wójcikowski, Ichiru Take, Daniel Probst, Kazuya Ujihara, Vincent F. Scalfani, guillaume godin, Juuso Lehtivarjo, Axel Pahl, Rachel Walker, Francois Berenger, jasondbiggs, strets123

Relation: https://github.com/rdkit/rdkit/tree/Release_2023_09_1b1; https://doi.org/10.5281/zenodo.591637; https://doi.org/10.5281/zenodo.8413907; oai:zenodo.org:8413907

الاتاحة: https://doi.org/10.5281/zenodo.8413907

المؤلفون: Jürgen Voss, Thomas Pesel, Dirk Buddensiek, Juuso Lehtivarjo

المصدر: Zeitschrift für Naturforschung B. 70:441-454

مصطلحات موضوعية: General Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::73ef0575453ce8e45fb4d7015dd1903a
https://doi.org/10.1515/znb-2015-0008

المؤلفون: James B. McAlpine, Matthias Niemitz, Shao-Nong Chen, Lucas R. Chadwick, Shunyan Mo, Tanja Gödecke, Jonathan Bisson, Aleksej Krunic, David C. Lankin, Taichi Inui, Juuso Lehtivarjo, Jimmy Orjala, Guido F. Pauli, Birgit U. Jaki, José G. Napolitano, Ryan J. Case, Samuli-Petrus Korhonen

المصدر: Journal of Natural Products

مصطلحات موضوعية: Pharmacology, 1h nmr spectroscopy, Magnetic Resonance Spectroscopy, Molecular Structure, Chemistry, Organic Chemistry, Analytical chemistry, Pharmaceutical Science, Cyanobacteria, Article, Spectral line, Analytical Chemistry, Organic molecules, Molecular Weight, Metabolomics, Complementary and alternative medicine, 13. Climate action, Computational chemistry, Drug Discovery, Proton NMR, Molecular Medicine

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::54dc52efbe20240e4727e6ec1f837d96
https://doi.org/10.1021/np5002384

المؤلفون: Dirk Buddensiek, Thomas Pesel, Juuso Lehtivarjo, Jürgen Voss

المصدر: Zeitschrift für Naturforschung B. 69:466-480

مصطلحات موضوعية: chemistry.chemical_classification, Polarography, Chemistry, law, General Chemistry, Photochemistry, Electron paramagnetic resonance, Alkyl, law.invention

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::df69767852aea14e6a4e1563d1750d00
https://doi.org/10.5560/znb.2014-3303

المؤلفون: Juuso Lehtivarjo, Matthias Niemitz, Samuli-Petrus Korhonen

المصدر: Journal of Chemical Information and Modeling. 54:810-817

مصطلحات موضوعية: Models, Molecular, Coupling constant, Coupling, Magnetic Resonance Spectroscopy, Matching (graph theory), Computer science, General Chemical Engineering, Hash function, Atom (order theory), General Chemistry, Library and Information Sciences, Computer Science Applications, k-nearest neighbors algorithm, Small Molecule Libraries, Encoding (memory), Path (graph theory), Computer Simulation, Algorithm, Software

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9490eb7ae939f5b70202713b8ca07c83
https://doi.org/10.1021/ci500057f

المؤلفون: Pekka Poutiainen, Pasi Soininen, Juuso Lehtivarjo, Pekka Laatikainen, Mika Tiainen, Olli Jääskeläinen, Reino Laatikainen, Tommi Hassinen, Samuli-Petrus Korhonen, Tuulia Tynkkynen, Topi K. Väisänen, Henri Martonen, Juha Jungman, Janne Weisell, Matthias Niemitz, Kari Tuppurainen

المصدر: Journal of Chemical Information and Modeling. 54(2):419-430

مصطلحات موضوعية: business.industry, Computer science, General Chemical Engineering, Monte Carlo method, Linear prediction, General Chemistry, Library and Information Sciences, Machine learning, computer.software_genre, Computer Science Applications, Random forest, k-nearest neighbors algorithm, Molecular dynamics, Nonlinear system, Principal component regression, Artificial intelligence, Statistical physics, business, Conformational isomerism, computer, ta116

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::720e28b2c56613d89702a724c04f4478
http://juuli.fi/Record/0028707214

المؤلفون: Juuso Lehtivarjo, Mikael Peräkylä, Kari Tuppurainen, Tommi Hassinen, Reino Laatikainen

المصدر: Journal of Biomolecular NMR. 52:257-267

مصطلحات موضوعية: Work (thermodynamics), Chemistry, Chemical shift, Protein dynamics, Proteins, Molecular Dynamics Simulation, Biochemistry, Molecular dynamics, Protein structure, Dimension (vector space), Computational chemistry, Side chain, Statistical physics, Nuclear Magnetic Resonance, Biomolecular, Conformational isomerism, Spectroscopy

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8b6253774205cd84da4ef011ba0117e0
https://doi.org/10.1007/s10858-012-9609-6

المؤلفون: Reino Laatikainen, Tommi Hassinen, Juuso Lehtivarjo, Samuli-Petrus Korhonen, Mikael Peräkylä

المصدر: Journal of biomolecular NMR. 45(4)

مصطلحات موضوعية: Proton, Chemistry, Protein Conformation, Chemical shift, Proteins, Molecular Dynamics Simulation, Crystallography, X-Ray, Biochemistry, Molecular physics, Molecular dynamics, Protein structure, Dimension (vector space), Computational chemistry, Atom, Principal component analysis, Databases, Protein, Nuclear Magnetic Resonance, Biomolecular, Spectroscopy, Hydrogen

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::51397407fa12b615d93fc5031d0c52b8
https://pubmed.ncbi.nlm.nih.gov/19876601