Search results for chemical structures
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43 datasets for “chemical structures”
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End-to-end mapping of membrane transport from chemical structure to microorganisms
GRICOURT, GuillaumeUpdated 21 Mar 2026
Lien vers la fiche source Datasets used to train the models. Models saved.
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Physical-chemical and structural stability of poly(3HB-co-3HV)/(ligno-)cellulosic fibre-based biocomposites over successive dishwashing cycles
Doineau, EstelleUpdated 20 Jan 2022
Lien vers la fiche source Raw data for the article "Physical-Chemical and Structural Stability of Poly(3HB …
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Cellulose interactions with water by ssNMR
Falourd XavierUpdated 14 Feb 2026
Lien vers la fiche source A complete set of files (13C CPMAS NMR spectra, processed data, metadata, and …
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Questionnaire structure of stakeholder survey about biomaterials and biogas facilities
Kuti, TündeUpdated 2 Sept 2020
Lien vers la fiche source The questionnaire for solutions to obtain NoAW biomaterials based on agricultural residues included …
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Modèle de représentation macroscopique énergétique (REM) de la pile à combustible et conduit à une structure de contrôle maximale (SCM)
Boulon, LoïcUpdated 19 Aug 2025
… Unfortunately, the SCM is only a theoretical control structure. Therefore, a realistic structure requires some simplifications, which leads …
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Seasonal Physico-Chemical and High-Frequency Monitoring of Lake Tignes for Mecanistic Model Calibration and Climate Change Impact Assessment (2022-2023)
Desgue, OliviaUpdated 11 Apr 2025
… impacts on the thermal structure and water quality of Lake Tignes. Monthly physico-chemical measurements (temperature, conductivity, pH …
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Data of "Disubstituted Ferrocenyl Iodo- and Chalcogenoalkynes as Chiral Halogen and Chalcogen Bond Donors"
Aubert, EmmanuelUpdated 22 Nov 2024
… Optimized molecular structure /MWFN/ : ESP surface analysis /Freq/ : frequency calculation results /Conf2/ : eventually a second molecular conformation
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BoostCrop chemical library
FLOURAT, AmandineUpdated 8 Mar 2024
… The plant’s response to cold stress, however, is complex, involving many physiological, structural, and biochemical changes, which …
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Stormwater Permits
Public WorksUpdated 13 Nov 2026
… Non-structural controls such as water quality monitoring, vegetative swales, public education, and policies relative to pest management …
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Functional effect of vaterite - The presence of an alternative crystalline structure in otolith alters escape kinematics of the brown trout (Salmo trutta)
Vignon, MatthiasUpdated 25 Jun 2021
… The presence of an alternative crystalline structure in otolith is therefore suspected to alter fish's behavior in …
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Periodic table / Tableau périodique des éléments (Mendeleïev)
Chris AndrejewskiUpdated 8 Dec 2017
… the chemical elements, ordered by their atomic number, electron configuration, and recurring chemical properties, whose structure shows periodic …
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Antimicrobial Activity and DFT Studies of a Novel Set of Spiropyrrolidines Tethered with Thiochroman-4-one/Chroman-4-one Scaffolds
Chouchène, NourhèneUpdated 12 Dec 2025
… Quantum chemical calculations studies, using the DFT approach, were performed to rationalize the stereochemical outcome. These N-heterocycles …
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Dataset associated with : Uncovering aquatic toxicity as a specific stressor among multiple environmental drivers affecting the functional structure of French stream macroinvertebrate communities
Recoura-Massaquant, RémiUpdated 14 Jan 2026
… study linking chemical toxicity (based on Gammarus fossarum feeding inhibition bioassays) with aquatic macroinvertebrate community structure and traits …
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Formation d'hydrocarbures aromatiques polycycliques complexes interstellaires : aperçus des simulations de dynamique moléculaire du benzène déshydrogéné
Hanine, MeriemUpdated 26 Aug 2025
… data file that contains the DFT-calculated optimized structures and their atomic coordinates. - An animation demonstrating the formation …
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Reaching V2(PO4)3 by sodium extraction from single-phase NaxV2(PO4)3 (1 < x < 3) positive electrode materials
Croguennec, LaurenceUpdated 4 Nov 2024
… Typically, chemically prepared c-Na 2 V 2 (PO 4 ) 3 , obtained by annealing an equimolar mixture of …
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Supporting information for: Cordiasecosides G-J, 9,10-Seco-29-norcycloartane glycosides isolated from Cordia lutea and their antibacterial activities.
Castro, InésUpdated 18 Jan 2023
… Their structural assignment is based on NMR and MS analysis. Their stereochemistry is confirmed by molecular modelling studies …
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HIPPO environmental monitoring: Impact of phytoplankton dynamics on water column chemistry and the sclerochronology of the king scallop (Pecten maximus) as a biogenic archive for past primary production reconstructions
Ifremer, Univ Brest, CNRS, IRD, LEMAR, F‐29280, Plouzané, FranceUpdated 6 Jun 2024
… However, the structural and/or chemical studies of the shell of the king scallop, Pecten maximus, hold the …
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Silver Corpus for Plant-based Food Fermentation Information Extraction
ZHU, XINGYUUpdated 2 Mar 2026
… The data was automatically annotated using a Large Language Model (LLM), resulting in a structured JSON format that …
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Software Architecture of the OLA Observatory Information System for Lake Environmental Research
Schellenberger, AntoineUpdated 1 Aug 2021
… Software architecture of this IS is structured around (i) a shared central component dedicated to generic functions and …
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Inverse QSAR: reversing descriptor-driven prediction pipeline using attention-based conditional variational autoencoder (ACoVAE)
BORT, WilliamUpdated 5 Oct 2022
… QSAR model output values and (ii) identifying the chemical structures best matching the “seed” vectors. The main development …
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