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Showing results for janet gaussian
Your search for Janet Gaussoin retrieved no results
HSQC Spectra Simulation and Matching for Molecular Identification.
Priessner M, Lewis RJ, Johansson MJ, Goodman JM, Janet JP, Tomberg A. Priessner M, et al. J Chem Inf Model. 2024 Apr 22;64(8):3180-3191. doi: 10.1021/acs.jcim.3c01735. Epub 2024 Mar 27. J Chem Inf Model. 2024. PMID: 38533705
We conducted a comprehensive evaluation of the following four HSQC simulation techniques: ACD/Labs (ACD), MestReNova (MNova), Gaussian NMR calculations (DFT), and a graph-based neural network (ML). ...
We conducted a comprehensive evaluation of the following four HSQC simulation techniques: ACD/Labs (ACD), MestReNova (MNova), Gaussian
Xanthatin and 8-epi-xanthatin as new potential colchicine binding site inhibitors: a computational study.
Alpízar-Pedraza D, Veulens AN, Ginarte YMÁ, Piloto-Ferrer J, Sánchez-Lamar Á. Alpízar-Pedraza D, et al. J Mol Model. 2023 Jan 11;29(2):36. doi: 10.1007/s00894-022-05428-w. J Mol Model. 2023. PMID: 36627468
METHODS: The 3D structures for xanthatin and 8-epi-xanthatin were obtained using DFT with the hybrid functional B3LYP and the base 6-31G (d,p), implemented in Gaussian 09. The 3D coordinates for tubulin proteins were downloaded from PDB. ...
METHODS: The 3D structures for xanthatin and 8-epi-xanthatin were obtained using DFT with the hybrid functional B3LYP and the base 6-31G (d, …
An in situ study of CD34(+) cells in human fetal bone marrow.
Allen JE, Henshaw DL. Allen JE, et al. Br J Haematol. 2001 Jul;114(1):201-10. doi: 10.1046/j.1365-2141.2001.02898.x. Br J Haematol. 2001. PMID: 11472369 Free article.
The purpose of this study was to characterize the spatial distribution, number and size of CD34(+) cells in fetal bone marrow. Thin sections of normal fetal bone marrow from lumbar vertebrae were stained using CD34 antibody QBend/10. ...
The purpose of this study was to characterize the spatial distribution, number and size of CD34(+) cells in fetal bone marrow. Thin s …
Head circumference and height in autism: a study by the Collaborative Program of Excellence in Autism.
Lainhart JE, Bigler ED, Bocian M, Coon H, Dinh E, Dawson G, Deutsch CK, Dunn M, Estes A, Tager-Flusberg H, Folstein S, Hepburn S, Hyman S, McMahon W, Minshew N, Munson J, Osann K, Ozonoff S, Rodier P, Rogers S, Sigman M, Spence MA, Stodgell CJ, Volkmar F. Lainhart JE, et al. Am J Med Genet A. 2006 Nov 1;140(21):2257-74. doi: 10.1002/ajmg.a.31465. Am J Med Genet A. 2006. PMID: 17022081 Free PMC article.
Data from 10 sites of the NICHD/NIDCD Collaborative Programs of Excellence in Autism were combined to study the distribution of head circumference and relationship to demographic and clinical variables. ...All subjects with autism met ADI-R, ADOS-G, DSM-IV, and ICD-10 crit …
Data from 10 sites of the NICHD/NIDCD Collaborative Programs of Excellence in Autism were combined to study the distribution of head …
Expression of the peripheral benzodiazepine receptor is decreased in skin cancers in comparison with normal skin.
Morgan J, Oseroff AR, Cheney RT. Morgan J, et al. Br J Dermatol. 2004 Oct;151(4):846-56. doi: 10.1111/j.1365-2133.2004.06198.x. Br J Dermatol. 2004. PMID: 15491426
Increased or aberrant expression of PBR has been associated with aggressive behaviour in several tumour types including ovarian, colon and breast adenocarcinomas and glioblastoma. OBJECTIVES: To determine whether changes in normal PBR distribution would be useful as …
Increased or aberrant expression of PBR has been associated with aggressive behaviour in several tumour types including ovarian, colon and b …
Accurate Multiobjective Design in a Space of Millions of Transition Metal Complexes with Neural-Network-Driven Efficient Global Optimization.
Janet JP, Ramesh S, Duan C, Kulik HJ. Janet JP, et al. ACS Cent Sci. 2020 Apr 22;6(4):513-524. doi: 10.1021/acscentsci.0c00026. Epub 2020 Mar 11. ACS Cent Sci. 2020. PMID: 32342001 Free PMC article.
Machine learning (e.g., artificial neural network, ANN, or Gaussian process, GP) models for this task are limited by training data availability and predictive uncertainty quantification (UQ). ...
Machine learning (e.g., artificial neural network, ANN, or Gaussian process, GP) models for this task are limited by training data av …
Nonparametric Residue Analysis of Dynamic PET Data With Application to Cerebral FDG Studies in Normals.
O'Sullivan F, Muzi M, Spence AM, Mankoff DM, O'Sullivan JN, Fitzgerald N, Newman GC, Krohn KA. O'Sullivan F, et al. J Am Stat Assoc. 2009 Jun 1;104(486):556-571. doi: 10.1198/jasa.2009.0021. J Am Stat Assoc. 2009. PMID: 19830267 Free PMC article.
A practical computational technique based on regularized cubic B-spline approximation of the residence time distribution is proposed. Nonparametric residue analysis allows formal statistical evaluation of specific parametric models to be considered. ...The methodology is i …
A practical computational technique based on regularized cubic B-spline approximation of the residence time distribution is proposed. …
12 results