9,717 research outputs found
STRUCTURE OF 5-BENZOYLAMINO-5-METHYL-4-OXO-1,3-DIOXANE
No full textThe crystals of the title compound (C12H13NO4) are orthorhombic, P212121 with a=8.541(3), b=10.988(1), and c=11.912(1) Å. Mr=235.24, mp 427 K, Z=4, Dx=1.348 Mg m-3, λ(Mo Kα=0.71069 Å, μ=0.11 mm-1, T=293 K. The structure was solved by direct methods and refined by full-matrixs least squares to a final R=0.028 for 1180 observed reflections. The molecules are connected by N-H⋯O (ring carbonyl) intermolecular H⋯O hydrogen bonds of 2.24(2) Å. The 4-oxo-1,3-dioxane ring is in a slightly distorted sofa conformation with a ΔCs1 asymmetry parameter of 3.6(2)° and the 5-methyl substituent in a pseudoaxial position. The benzoyl oxygen is turned toward the ring, resulting in a close O⋯H(C6) contact of 2.45(2) Å. © 1986 Plenum Publishing Corporation
Crystal structure of 5-benzoylamino-5-isopropyl-4-oxo-1,3-dioxane
No full textC14H17NO4 crystallizes in the monoclinic space groupP21/n (Z=4) witha=10.208(2),b=10.888(2),c=11.909(2) Å, andβ=90.89(2)°. The structure was solved by direct methods and refined by full-matrix LSQ to anR factor of 0.036. The 4-oxo-1,3-dioxane ring is in a slightly distorted O(1)-sofa conformation flattened at the C(4) end with the 5-isopropyl substituent in a pseudoaxial position and planar lactone group. The molecules form dimers by means of intermolecular N-H⋯O(4) hydrogen bonds of 3.091(2) Å. The1H NMR spectrum of the title compound shows unusual features
Crystal structure of racemic 5-(p-nitrobenzoylamino)-5-methyl-4-oxo-1,3-dioxane
No full textC12H12N2O6 crystallized from methanol in the monoclinic space group P21/c (Z=4) witha=13.333(4),b=10.154(3),c=9.597(2) Å andβ=102.37(2)°.M r=280.24,V=1269.1(6) Å3,D x=1.466 g cm−3,λ(Mo Kα)=0.71069 Å,μ=1.29 cm−1,T=295 K. The structure was solved by direct methods and refined by full-matrix least-squares to a finalR (R w)=0.049 (0.057) for 916 observed reflections. The molecules are linked by strong N-H⋯O(4) hydrogen bonds with N⋯O distance of 2.995(4) Å. The infinite racemic chains run in [001] direction
Crystal structure of 7-cyano-6,7-dimethyl-1-phenyl-1,3,6,7-tetrahydro-2,1-benzoxaphospole 1-oxide
No full textThe crystals (C16H18NO2P, Mr=287.30) are orthorhombic, space group Pbca with a=8.200(2), b=14.857(2), and c=24.396(5)Å, V=2972.1 Å3, Z=8, Dx=1.284 mg m-3, λ(Mo Kα)=0.71069 Å, μ=1.90 cm-1, F(000)=216, T=295K. Final R=0.044 for 1673 observed reflections collected on a diffractometer. Structure solved by direct methods. Cis-junction and double bond in the six-membered ring cause its almost ideal sofa conformation. The two neighboring methyl groups are cis, and cyano substituent is in an equatorial position. There is a short intramolecular H(o-phenyl)⋯O(endocyclic) contact of 2.53(3)Å and the phenyl ring is in a less favorable rotational orientation due to molecular packing. © 1989 Plenum Publishing Corporation
Structure of an α,β-unsaturated dipeptide, racemic N-[(phenylmethoxy)carbonyl]phenylalanyl-Δ2-phenylalanine
No full textC2_6H24N2Os, M r = 444.49, m.p. 466-469 K, triclinic, P1, a=6.418 (1), b= 13.223 (2), c=14.153(2)A, a=104.73 (1), fl=94.33(2), y=96.54 (2) °, V= 1147.2 (3) A 3, Z = 2, Dx=1.287 Mg m -3, 2(Mo K~) = 0.71069 A,/z = 0.01 mm -~,
F(000)=468. Final R =0.039 for 2806 observed 1I _> 3o(I)1 reflections measured on a diffractometer at
293 K. The molecules in the crystal form compact 'hydrophilic columns' consisting of intermolecular
hydrogen-bonded double chains surrounded by a hydrophobic space composed of phenyl substituents.
The conformation of the phenylalanyl residue is close to parallel fl-sheet (tp=-89.3, ~,= 114.4 °) while the
unsaturated residue adopts a left-handed or-helix conformation (~ = 50.4, ~, = 21.2°)
Metadata Representations for Queryable ML Model Zoos
No full textMachine learning (ML) practitioners and organizations are building model zoos of pre-trained models, containing metadata describing properties of the ML models and datasets that are useful for reporting, auditing, reproducibility, and interpretability purposes. The metatada is currently not standardised; its expressivity is limited; and there is no interoperable way to store and query it. Consequently, model search, reuse, comparison, and composition are hindered. In this paper, we advocate for standardized ML model metadata representation and management, proposing a toolkit supported to help practitioners manage and query that metadata.Web Information SystemsHuman-Centred Artificial Intelligenc
A Manifesto of Nodalism
No full textThis paper proposes the notion of Nodalism as a means describing contemporary culture and of understanding my own creative practice in electronic music composition. It draws on theories and ideas from Kirby, Bauman, Bourriaud, Deleuze, Guatarri, and Gochenour, to demonstrate how networks of ideas or connectionist neural models of cognitive behaviour can be used to contextualize, understand and become a creative tool for the creation of contemporary electronic music
Optimizing ML Inference Queries Under Constraints
No full textThe proliferation of pre-trained ML models in public Web-based model zoos facilitates the engineering of ML pipelines to address complex inference queries over datasets and streams of unstructured content. Constructing optimal plan for a query is hard, especially when constraints (e.g. accuracy or execution time) must be taken into consideration, and the complexity of the inference query increases. To address this issue, we propose a method for optimizing ML inference queries that selects the most suitable ML models to use, as well as the order in which those models are executed. We formally define the constraint-based ML inference query optimization problem, formulate it as a Mixed Integer Programming (MIP) problem, and develop an optimizer that maximizes accuracy given constraints. This optimizer is capable of navigating a large search space to identify optimal query plans on various model zoos.Green Open Access added to TU Delft Institutional Repository ‘You share, we take care!’ – Taverne project https://www.openaccess.nl/en/you-share-we-take-care Otherwise as indicated in the copyright section: the publisher is the copyright holder of this work and the author uses the Dutch legislation to make this work public.Web Information SystemsHuman-Centred Artificial Intelligenc
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