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Table 2 from Chemical Substructure Search in SQL
<p>These are queries reported in Table 2 of:</p> <p> Adel Golovin and Kim Henrick,<br> Chemical Substructure Search in SQL,<br> Journal of Chemical Information and Modeling 2009 49 (1), 22-27<br> <a href="https://doi.org/10.1021/ci8003013">https://doi.org/10.1021/ci8003013</a></p> <p>Data provenance<br> ===============</p> <p>The queries are in Table 2, located on p. 25. I extracted an image of that table and placed it in 10.1021_ci8003013_Table_2.pdf .</p> <p>The spreadsheet is in ods format, created by LibreOffice.</p> <p>I used a combination of copy&paste and manual editing/entry to create the sheet "Original" with 15 entries.</p> <p>The copy&paste from the PDF used incorrect characters, primarily regarding the double-bond '='. I fixed those, and manually verified that the fix matched the visual appearance of the original table.</p> <p>Note that one of the steroid entries is invalid, likely when a "cc" was interpreted as cm³:</p> <p> CC12CCCC1C3CCc4 cm³(O)ccc4C3CC2 steroid</p> <p>The sheet "Processed" contains the SMILES and description from sheet "Original" column A, manually split into the columns "SMILES" and "description". This table has 14 entries.</p> <p>I have taken the lead from Agrafiotis et al. in "Efficient Substructure Searching of Large Chemical Libraries" and ignored that steroid line, rather than guess the original intent.</p> <p>History<br> =======</p> <p>30 May 2014<br> -----------</p> <p>Added the transcribed entry to the SQC.</p> <p>Andrew Dalke</p> <p>26 September 2022<br> -----------------</p> <p>Updated for distribution on Zenodo.</p> <p>Andrew Dalke</p>
Table 2 from Efficient Substructure Searching of Large Chemical Libraries: The ABCD Chemical Cartridge
<p>These 46 SMARTS queries come from Table 2 of:</p> <p> Dimitris K. Agrafiotis, Victor S. Lobanov, Maxim Shemanarev,<br> Dmitrii N. Rassokhin, Sergei Izrailev, Edward P. Jaeger, Simson<br> Alex, and Michael Farnum,<br> Efficient Substructure Searching of Large Chemical Libraries: The<br> ABCD Chemical Cartridge,<br> Journal of Chemical Information and Modeling 2011 51 (12), 3113-3130<br> <a href="https://doi.org/10.1021/ci200413e">https://doi.org/10.1021/ci200413e</a></p> <p>The SMARTS queries are in Table 2 (pages 3122-3123). A copy of the original table is in 10.1021_ci200413e_Table_2.pdf .</p> <p>The LibreOffice spreadsheet file 10.1021_ci200413e.ods contains three worksheets.</p> <p>- The "Overview" sheet contains a summary of the data set.</p> <p>- The "Table 2" sheet contains the table data.</p> <p>- The "ID map" sheet contains a mapping from the labels used in Agrafiotis et al. to the labels used in the original papers.</p> <p>This dataset is derived from two other data sets:</p> <p> Chemical Substructure Search in SQL<br> Adel Golovin and Kim Henrick<br> Journal of Chemical Information and Modeling 2009 49 (1), 22-27<br> https://doi.org/10.1021/ci8003013<br> See also doi:10.5281/zenodo.7116311</p> <p> Martin G. Hicks and Clemens Jochum<br> Substructure search systems. 1. Performance comparison of the MACCS, DARC, HTSS,<br> CAS Registry MVSSS, and S4 substructure search systems<br> Journal of Chemical Information and Computer Sciences 1990 30 (2), 191-199<br> https://doi.org/10.1021/ci00066a018<br> See also doi:10.5281/zenodo.7116311</p> <p>See the README for full details.</p>
Table S1
N/A
Figure 2 from: Maumet C, Nichols T (2017) Generating and reporting peak and cluster tables for voxel-wise inference in FSL. Research Ideas and Outcomes 3: e12368. https://doi.org/10.3897/rio.3.e12368
Figure 2 - Cluster and peak tables for p<0.05 FWE-corrected voxel-wise results (dataset "fsl_thr_voxelfwep05")
Figure 1 from: Maumet C, Nichols T (2017) Generating and reporting peak and cluster tables for voxel-wise inference in FSL. Research Ideas and Outcomes 3: e12368. https://doi.org/10.3897/rio.3.e12368
Figure 1 - Examples of calls of the updated "cluster" command for voxel-wise and cluster-wise thresholds.
TABLE 1 in Systematics, palaeoecology and taphonomy of Turonian oysters from the northern Gabon Coastal Basin
TABLE 1. — List of oyster fauna of Libreville.After Lombard (1930),Dartevelle & Freneix (1957), Musavu Moussavou et al. (2013a, 2014a) and the present study.
Supplementary Table 1. Clinical characteristics of cancer patients carrying the BRCA1Δ9-12 mutation.
<p> Clinical characteristics of cancer patients carrying the BRCA1Δ9-12 mutation.</p>
Supplementary Tables for Dissertation
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Figures and tables with datasets in "A wind-induced snow redistribution study considering contact based on a bidirectional coupled model of wind and discrete snow particles"
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Resume Table: Angiocentric Glioma
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Cell type-specific loops linked to RNA polymerase II elongation in human neural differentiation (Supplementary Tables)
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Supplementary tables and figures
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Supplemental figure and table
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AEG-1 related figure and table
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Supplementary Table Ag85 TB Drugs
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Tabela de Formulações quimicas para patinas em ligas de cobre / Table of chemical formulations for patinas on copper alloys/ Tableau des formulations chimiques des patines sur alliages cuivreux
<pre>This research work was developed as part of my doctoral thesis on the artistic production techniques of bronze sculptures by Auguste Rodin – at DCR-FCT-NOVA, funded by the Fundação para a Ciência e Tecnologia. The text presented elwere sought to focus on the gap in knowledge about chemical formulations for the production of colored oxidized surfaces on copper alloy sculptures between 1840-1917. Here we carry out a literature review, and propose a synthesis, in the form of tables, of the possible formulations in that period (systematization of secondary data), in order to contribute to the understanding of the artistic production techniques of these surface finishes. This knowledge is essential for a critical analysis of the conservation of sculptures in copper alloys from this period, and essential to be able to make any kind of analogy based on the material characterization data of works of art from this period. The information conveyed here brings light to methodologies in the 19th century for obtaining the 7 main colors, will allow discussing terminology issues related to chemical formulation in the 19th century, as well as providing secondary data that will enable the material characterization of the original surface of the sculptures in “ patinated bronze”. we present here a set of 4 primary data systematization tables on which the production of the text is based. The tables were created in Excel, because of the estension of the data present. The text is in Englis, french and Portuguese Table 1 Systematization of transcribed wordings (original data); </pre> <p>Table 2: systematization of standardized formulations</p> <pre>Table 3: glossary plus Bibliographical references/ Reference Bibliographiques / Referências Bibliográficas</pre> <p>table 4: Sources / Cases / resume</p> <p>Table 5:Bronzeurs / Metteurs en couleurs</p> <p>Table 6: measures and equivalences</p> <p> </p>
Table B.1
<p>Appendix Table for the paper <em>The restless population of bright X-ray sources of NGC 3621</em>.</p>
Object 4-2 Supplementary table 3
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Object 2-2 supplementary table 5
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Object 2-3 supplementary table 6
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Allen Brain Atlas
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Annotated Behaviour and Observability Dataset (ABODe)
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DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.