Results 21 to 30 of about 579,058 (319)
Kryptoracemic compound hunting and frequency in the Cambridge Structural Database [PDF]
CrystEngComm, 2020 Determination of kryptoracemic compound frequency in the Cambridge Structural Database using CCDC Python API script.
Clevers, Simon, Coquerel, Gérard
openaire +4 more sources
Cambridge Structural Database (WebCSD)
Issues in Science and Technology Librarianship, 2019 Matt Hayward
doaj +3 more sources
Evolving the Cambridge Structural Database
Acta Crystallographica Section A Foundations and Advances, 2022 Ian Bruno +3 more
openaire +2 more sources
Results in Chemistry, 2022 Representative crystal structures bearing chloroquine and hydroxychloroquine moieties as the active pharmaceutical ingredients were retrieved from the Cambridge Structural Database (CSD) and used for this work.
Samuel Tetteh
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Fiftieth Anniversary of the Cambridge Structural Database and Thirty Years of Its Use in Croatia [PDF]
Kemija u Industriji, 2015 This article is dedicated to the memory of Dr. F. H. Allen and the 50th anniversary of the Cambridge Crystallographic Data Centre (CCDC); the world-renowned centre for deposition and control of crystallographic data including atomic coordinates that ...
Kojić-Prodić B., Molčanov K.
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IUCrData, 2020 The crystal structure of the title complex, [Pb3(C4H7O2)6(H2O)2]n, was redetermined on basis of modern CCD-based single-crystal X-ray data at 120 K. The current study basically confirms the previous report [Fallon et al. (1997). Polyhedron, 16, 19–23] at
Erika Samolová, Jan Fábry
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Molecular Set Transformer: Attending to the co-crystals in the Cambridge Structural Database
Digital Discovery, 2022 In this paper we introduce Molecular Set Transformer, a Pytorch-based deep learning architecture designed for solving the molecular pair scoring task whilst tackling the class imbalance problem observed on datasets...
Aikaterini Vriza +5 more
semanticscholar +1 more source
A Database for Crystalline Organic Conductors and Superconductors
Crystals, 2022 We present a prototype database for quasi two-dimensional crystalline organic conductors and superconductors based on molecules related to bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF, ET).
Owen Ganter +4 more
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Crystal structure of poly[μ-aqua-bis(μ3-2-methylpropanoato-κ4O:O,O′:O′)dipotassium]
Acta Crystallographica Section E: Crystallographic Communications, 2020 The structure of the title compound, [K2(C4H7O2)2(H2O)]n, is composed of stacked sandwiches, which are formed by cation–oxygen bilayers surrounded by methylethyl hydrophobic chains. These sandwiches are held together by van der Waals interactions between
Jan Fábry, Erika Samolová
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Chemistry, 2023 Cambridge Structural Database (CSD) is the largest repository of crystal data, containing over 1.2 million crystal structures of organic, metal–organic and organometallic compounds.
Dušan P. Malenov, Snežana D. Zarić
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