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Why relevant chemical information cannot be exchanged without disclosing structures

Dmitry Filimonov, Vladimir Poroikov
<span title="">2005</span> <i title="Springer Nature"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/eqrkonq3ofesljyzeksgdlfeb4" style="color: black;">Journal of Computer-Aided Molecular Design</a> </i> &nbsp;
The proprietary value of chemical structure is the major impediment chemical structure is the major impediment to sharing information and testing of to sharing information and testing of computational  ...  Can we derive a general model for safe Can we derive a general model for safe chemical information exchange, in such a chemical information exchange, in such a way that it does not allow for the reverse  ...  or or " " descriptors descriptors " " of chemical compounds of chemical compounds without revealing the actual chemical without revealing the actual chemical structures of those compounds. structures  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1007/s10822-005-9014-2">doi:10.1007/s10822-005-9014-2</a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pubmed/16267690">pmid:16267690</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/zavxyxixyrakfktiatbty3sm7q">fatcat:zavxyxixyrakfktiatbty3sm7q</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20150906220716/http://acscinf.org/docs/meetings/229nm/presentations/229nm30.pdf" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/4f/74/4f7489f76e1dfcecb5d120516b212038cf7f73d4.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1007/s10822-005-9014-2"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="external alternate icon"></i> springer.com </button> </a>

Mining the biomedical literature to predict shared drug targets in DrugBank

Horacio Caniza, Diego Galeano, Alberto Paccanaro
<span title="">2017</span> <i title="IEEE"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/flpcnttmynfzdhav7oc5u77dcq" style="color: black;">2017 XLIII Latin American Computer Conference (CLEI)</a> </i> &nbsp;
In this work, we present a measure that can predict shared targets for drugs in DrugBank through large scale analysis of the biomedical literature.  ...  We show that using MeSH ontology terms can accurately describe the drugs and that appropriate use of the MeSH ontological structure can determine pairwise drug similarity.  ...  The Drugbank database [6] is a chemoinformatics resource that combines information about known drug compounds, e.g. drug chemical structure, their Anatomical Therapeutic and Chemical (ATC) category,  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1109/clei.2017.8226376">doi:10.1109/clei.2017.8226376</a> <a target="_blank" rel="external noopener" href="https://dblp.org/rec/conf/clei/CanizaGP17.html">dblp:conf/clei/CanizaGP17</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/uuegy2wxcfedlnib4ko7cebhmu">fatcat:uuegy2wxcfedlnib4ko7cebhmu</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20180721231904/http://www.clei2017-46jaiio.sadio.org.ar/sites/default/files/Mem/SLMDI/SLMDI-03.pdf" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/85/c6/85c63a6d3090af290f811b1026381f9c6486e447.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1109/clei.2017.8226376"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="external alternate icon"></i> ieee.com </button> </a>

Chemical information matters: an e-Research perspective on information and data sharing in the chemical sciences

Colin L. Bird, Jeremy G. Frey
<span title="">2013</span> <i title="Royal Society of Chemistry (RSC)"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/qoebttzoxbfgviecxmhjrua4eu" style="color: black;">Chemical Society Reviews</a> </i> &nbsp;
Among our conclusions, we present our choice of the "grand challenges" for the preservation and sharing of chemical information.  ...  For chemistry, unique identifiers, structure representations, and property descriptors are essential to the activities of sharing and exchange.  ...  QSPRs without revealing the chemical structure (which might compromise intellectual property rights and/or competitive advantage).  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1039/c3cs60050e">doi:10.1039/c3cs60050e</a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pubmed/23686012">pmid:23686012</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/dibiolkg4zgixp6npavea765ze">fatcat:dibiolkg4zgixp6npavea765ze</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20190502115803/https://pubs.rsc.org/en/content/articlepdf/2013/cs/c3cs60050e" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/57/e1/57e18b8008858a3e8351b9fc3aff397f4d751367.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1039/c3cs60050e"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="external alternate icon"></i> Publisher / doi.org </button> </a>

Ambiguity of non-systematic chemical identifiers within and between small-molecule databases

Saber A. Akhondi, Sorel Muresan, Antony J. Williams, Jan A. Kors
<span title="2015-11-16">2015</span> <i title="Springer Nature"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/5aubiwi6v5beng6iqzj577kiaa" style="color: black;">Journal of Cheminformatics</a> </i> &nbsp;
To retrieve compound information, including structures, researchers can query these chemical databases using nonsystematic identifiers.  ...  We also studied the effect of chemical structure standardization on reducing the ambiguity of non-systematic identifiers.  ...  Subsets of chemicals such as "make on demand" chemicals from screening library vendors without names other than computationally generated systematic names were excluded, as were the datasets that have  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1186/s13321-015-0102-6">doi:10.1186/s13321-015-0102-6</a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pubmed/26579214">pmid:26579214</a> <a target="_blank" rel="external noopener" href="https://pubmed.ncbi.nlm.nih.gov/PMC4646925/">pmcid:PMC4646925</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/w7v3l4atpzgcrnpbqvs3d6amqa">fatcat:w7v3l4atpzgcrnpbqvs3d6amqa</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20171013003732/http://publisher-connector.core.ac.uk/resourcesync/data/Springer-OA/pdf/57d/aHR0cDovL2xpbmsuc3ByaW5nZXIuY29tLzEwLjExODYvczEzMzIxLTAxNS0wMTAyLTYucGRm.pdf" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/a9/29/a929d5069b36045cece5808bc4385e66246e3601.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1186/s13321-015-0102-6"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="unlock alternate icon" style="background-color: #fb971f;"></i> springer.com </button> </a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4646925" title="pubmed link"> <button class="ui compact blue labeled icon button serp-button"> <i class="file alternate outline icon"></i> pubmed.gov </button> </a>

Categorical Data Integration for Computational Science [article]

Kristopher Brown, David I. Spivak, Ryan Wisnesky
<span title="2019-03-25">2019</span> <i > arXiv </i> &nbsp; <span class="release-stage" >pre-print</span>
We discuss how the structure-preserving nature of CQL data migrations protect those who publicly share data from the misinterpretation of their data.  ...  We argue some open problems in the field of data sharing in computational science are addressable by working within this paradigm of functorial data migration.  ...  This means OQMD structures implicitly have a specific calculation associated with them, whereas Catalysis structures contain purely geometric information (many calculations could share the same structure  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener" href="https://arxiv.org/abs/1903.10579v1">arXiv:1903.10579v1</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/idsg7exy7jazjbtudjskezigxq">fatcat:idsg7exy7jazjbtudjskezigxq</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20200826220941/https://arxiv.org/pdf/1903.10579v1.pdf" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/78/c7/78c7c1352b3d6f5d45e3727cbcdabe716122e88a.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener" href="https://arxiv.org/abs/1903.10579v1" title="arxiv.org access"> <button class="ui compact blue labeled icon button serp-button"> <i class="file alternate outline icon"></i> arxiv.org </button> </a>

Enhancing the Discovery of Chemistry Theses by Registering Substances and Depositing in PubChem

Vincent F. Scalfani, Barbara J. Dahlbach, Jacob Robertson
<span title="2021-05-07">2021</span> <i title="University of Alberta Libraries"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/zb2ivzoufjgurks4atgdfnzfh4" style="color: black;">Issues in Science and Technology Librarianship</a> </i> &nbsp;
In total, 73 theses were selected for the project, resulting in about 3,000 substances registered using the IUPAC International Chemical Identifier and deposited in PubChem as either structure-data files  ...  In this article, we describe our workflow for extracting, registering, and sharing chemical substances from the University of Alabama theses to enhance discovery.  ...  Finally, we thank NIH/NLM/NCBI PubChem staff for their helpful responses related to chemical file formats and data submission questions.  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.29173/istl2566">doi:10.29173/istl2566</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/ful3zqyrmbfidhm5ywjzzad3mu">fatcat:ful3zqyrmbfidhm5ywjzzad3mu</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20210511050118/https://journals.library.ualberta.ca/istl/index.php/istl/article/download/2566/2607" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/eb/ca/ebcabcff3f1eb165901058cf97d2b9f7e2d68d25.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.29173/istl2566"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="unlock alternate icon" style="background-color: #fb971f;"></i> Publisher / doi.org </button> </a>

MolNetEnhancer: Enhanced Molecular Networks by Integrating Metabolome Mining and Annotation Tools

Madeleine Ernst, Kyo Bin Kang, Andrés Mauricio Caraballo-Rodríguez, Louis-Felix Nothias, Joe Wandy, Christopher Chen, Mingxun Wang, Simon Rogers, Marnix H. Medema, Pieter C. Dorrestein, Justin J.J. van der Hooft
<span title="2019-07-16">2019</span> <i title="MDPI AG"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/ie7tehbfsfhs5pdyyt2rrdmnpm" style="color: black;">Metabolites</a> </i> &nbsp;
Ideally, all structural information obtained and inferred from these computational tools could be combined to increase the resulting chemical insight one can obtain from a data set.  ...  classification through ClassyFire to provide a more comprehensive chemical overview of metabolomics data whilst at the same time illuminating structural details for each fragmentation spectrum.  ...  No structural information could be retrieved for family (ii), where no chemical structural information was retrieved through GNPS library matching ( Figure 3a ).  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.3390/metabo9070144">doi:10.3390/metabo9070144</a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pubmed/31315242">pmid:31315242</a> <a target="_blank" rel="external noopener" href="https://pubmed.ncbi.nlm.nih.gov/PMC6680503/">pmcid:PMC6680503</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/d6fetyinffdujm2s5iabvdhq3m">fatcat:d6fetyinffdujm2s5iabvdhq3m</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20200216093315/https://res.mdpi.com/d_attachment/metabolites/metabolites-09-00144/article_deploy/metabolites-09-00144.pdf" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/11/ae/11aed8dcc1d33281eaaa3eb4a6504d25c01b5bc2.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.3390/metabo9070144"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="unlock alternate icon" style="background-color: #fb971f;"></i> mdpi.com </button> </a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6680503" title="pubmed link"> <button class="ui compact blue labeled icon button serp-button"> <i class="file alternate outline icon"></i> pubmed.gov </button> </a>

OrganoRelease – A framework for modeling the release of organic chemicals from the use and post-use of consumer products

Mengya Tao, Dingsheng Li, Runsheng Song, Sangwon Suh, Arturo A. Keller
<span title="">2018</span> <i title="Elsevier BV"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/tto2w4u24nc37lgtux53f22ylu" style="color: black;">Environmental Pollution</a> </i> &nbsp;
First, a novel Chemical Functional Use Classifier estimates functional uses based on chemical structure.  ...  Second, the quantity of chemicals entering different product streams is estimated based on market share data of the chemical functional uses.  ...  other than the chemical structure is available.  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1016/j.envpol.2017.11.058">doi:10.1016/j.envpol.2017.11.058</a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pubmed/29245149">pmid:29245149</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/pq7lumiktzcdhh3jonflpfkzxa">fatcat:pq7lumiktzcdhh3jonflpfkzxa</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20210428201350/https://escholarship.org/content/qt9n62d421/qt9n62d421.pdf?t=qd5hww" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/0b/06/0b062d59123257aeec68e75a0af6ba7e7575da14.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1016/j.envpol.2017.11.058"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="external alternate icon"></i> elsevier.com </button> </a>

Bio-Prospection and Bio-Piracy

Ashish Chauhan
<span title="">2014</span> <i title="OMICS Publishing Group"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/wvildahf7febvgsq6womvbsm4a" style="color: black;">Pharmaceutica Analytica Acta</a> </i> &nbsp;
In this, the chemical structures and physico-chemical properties of compounds are gathered in a computerized database that could be searched to find matches either to complement the three-dimensional structure  ...  Problems started occurring once the private organizations or prospectors starts exploiting bioresources in areas to which they were not inhabiting, without equitable benefit sharing basis while neglecting  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.4172/2153-2435.1000e170">doi:10.4172/2153-2435.1000e170</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/7myowp5bhrejdf6ehzcoap7gem">fatcat:7myowp5bhrejdf6ehzcoap7gem</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20180416024441/https://www.omicsonline.org/open-access/bioprospection-and-biopiracy-2153-2435.1000e170.pdf" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/bb/79/bb7958950ad9002c4efac89c08c568eadbdb8198.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.4172/2153-2435.1000e170"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="external alternate icon"></i> Publisher / doi.org </button> </a>

MolNetEnhancer: enhanced molecular networks by integrating metabolome mining and annotation tools [article]

Madeleine Ernst, Kyo Bin Kang, Andres Mauricio Caraballo-Rodriguez, Louis-Felix Nothias, Joe Wandy, Mingxun Wang, Simon Rogers, Marnix H. Medema, Pieter C. Dorrestein, Justin J.J. van der Hooft
<span title="2019-05-31">2019</span> <i title="Cold Spring Harbor Laboratory"> bioRxiv </i> &nbsp; <span class="release-stage" >pre-print</span>
Ideally, all structural information obtained and inferred from these computational tools could be combined to increase the resulting chemical insight one can obtain from a data set.  ...  classification through ClassyFire to provide a more comprehensive chemical overview of metabolomics data whilst at the same time illuminating structural details for each fragmentation spectrum.  ...  In conclusion, using MolNetEnhancer we were able to significantly increase chemical structural information from retrieving chemical structural information of one molecular feature through GNPS library  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1101/654459">doi:10.1101/654459</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/wvgpf5dzwbbxdfoq347rautqhi">fatcat:wvgpf5dzwbbxdfoq347rautqhi</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20200324213443/https://www.biorxiv.org/content/biorxiv/early/2019/05/31/654459.full.pdf" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/cb/04/cb04f5add29ca3967439c1c37632cc8c879ddacd.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1101/654459"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="external alternate icon"></i> biorxiv.org </button> </a>

Reconciliation of metabolites and biochemical reactions for metabolic networks

T. Bernard, A. Bridge, A. Morgat, S. Moretti, I. Xenarios, M. Pagni
<span title="2012-11-19">2012</span> <i title="Oxford University Press (OUP)"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/op7ztx4fhvairowgqifu7dnvsi" style="color: black;">Briefings in Bioinformatics</a> </i> &nbsp;
The development of such reconstructions involves the integration of information on reactions and metabolites from the scientific literature as well as public databases and existing genome-scale metabolic  ...  RESOURCES OF INFORMATION ON METABOLITES AND REACTIONS (i) Reconciliation of common metabolites based on chemical structures Information on chemical structure (when available) can be used to reconcile  ...  Such resources typically provide information including chemical structures, standardized chemical nomenclature and synonyms, and cross references to other resources and models.  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1093/bib/bbs058">doi:10.1093/bib/bbs058</a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pubmed/23172809">pmid:23172809</a> <a target="_blank" rel="external noopener" href="https://pubmed.ncbi.nlm.nih.gov/PMC3896926/">pmcid:PMC3896926</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/ztz6xxdddnc5xkcnfcjy7bxsai">fatcat:ztz6xxdddnc5xkcnfcjy7bxsai</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20170707045104/https://oup.silverchair-cdn.com/oup/backfile/Content_public/Journal/bib/15/1/10.1093/bib/bbs058/2/bbs058.pdf?Expires=1499487232&amp;Signature=AAkGqxAGotmJYXaCOx0GfHTLbML4iQGFsazNvyUCke4bKJ207c0DSPeZquG5Ulq1dZ-OfWjKdbbBBRGoPhsszm7xu0LAD-4k0KX6YQsXO9SSYPt8BbXPspJfIPrKupU3rwTG3fz7UWaVExsQ~7VDwm8jrl0vp0kMByWsVcPfaUrUJck1G0B48oKsuITs5Pl6ty96wkAdPWd-Q0A2YINnC1Ns65C9KNFGQJlV5PRKMPtEAa35KBHccXoYrasymJ2Vov6C1KKCol5uXJJ7FeUUx8jjMnzB~ZpYO8df23~LtIyBkhb7fKSla2G1u9vQSwWbh2LKXppW-XWoA5eyX1dVwg__&amp;Key-Pair-Id=APKAIUCZBIA4LVPAVW3Q" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/a0/b8/a0b8ee517afcc7484f15129ab4cd4d365e69f753.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1093/bib/bbs058"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="external alternate icon"></i> oup.com </button> </a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3896926" title="pubmed link"> <button class="ui compact blue labeled icon button serp-button"> <i class="file alternate outline icon"></i> pubmed.gov </button> </a>

WebChem Viewer: a tool for the easy dissemination of chemical and structural data sets

Jacob D Durrant, Rommie E Amaro
<span title="">2014</span> <i title="Springer Nature"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/n5zrklrhlzhtdorf4rk4rmeo3i" style="color: black;">BMC Bioinformatics</a> </i> &nbsp;
Conclusions: With these features, WebChem Viewer enables interdisciplinary collaborations that require the sharing and visualization of small molecule structures and associated sets of heterogeneous chemical  ...  Sharing sets of chemical data (e.g., chemical properties, docking scores, etc.) among collaborators with diverse skill sets is a common task in computer-aided drug design and medicinal chemistry.  ...  Like WebChem Viewer, all three of these programs have Graphical User Interfaces that allow the user to generate tabular chemical reports that include both structural images and associated molecular information  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1186/1471-2105-15-159">doi:10.1186/1471-2105-15-159</a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pubmed/24886360">pmid:24886360</a> <a target="_blank" rel="external noopener" href="https://pubmed.ncbi.nlm.nih.gov/PMC4094277/">pmcid:PMC4094277</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/tk3owqaxb5dz5nxp24lqxdjc2u">fatcat:tk3owqaxb5dz5nxp24lqxdjc2u</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20201108010224/https://escholarship.org/content/qt63p7q6mz/qt63p7q6mz.pdf?t=qamsyu" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/18/2e/182ee521bb8db126e82d1495f31d53174def5df3.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1186/1471-2105-15-159"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="unlock alternate icon" style="background-color: #fb971f;"></i> springer.com </button> </a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4094277" title="pubmed link"> <button class="ui compact blue labeled icon button serp-button"> <i class="file alternate outline icon"></i> pubmed.gov </button> </a>

UHD, electronic homeopathy and organisms – do they share a common language?

Igor Jerman, Vesna Periček Krapež
<span title="2021-08-18">2021</span> <i title="International Journal of High Dilution Research - IJHDR"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/unscfexvyrbhthwg6724atjqta" style="color: black;">International journal of high dilution research</a> </i> &nbsp;
Conclusion  Chemicals, water coherent domains, endogenous coherent oscillations of organisms and physiological responses must share a common denominator;  quantum field oscillations and their wave structures  ...  It is also known as electronic homeopathy and is capable of a very similar achievement to UHD homeopathy without any chemical continuity between mother tincture and the final informed water.  ...  It is also known as electronic homeopathy and is capable of a very similar achievement to UHD homeopathy without any chemical continuity between mother tincture and the final informed water.  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.51910/ijhdr.v15i4.867">doi:10.51910/ijhdr.v15i4.867</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/4q6n7wd2ljh65ajb6pgpbyscg4">fatcat:4q6n7wd2ljh65ajb6pgpbyscg4</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20200927184929/http://highdilution.org/index.php/ijhdr/article/download/867/855" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/56/45/564536f22d2508543ce068102998a12d7ecb4cf9.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.51910/ijhdr.v15i4.867"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="unlock alternate icon" style="background-color: #fb971f;"></i> Publisher / doi.org </button> </a>

Prospective pedagogy for teaching chemical bonding for smart and sustainable learning

Harkirat S. Dhindsa, David F. Treagust
<span title="">2014</span> <i title="Royal Society of Chemistry (RSC)"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/ejkbk3yglfcrtil425p2exdszy" style="color: black;">Chemistry education</a> </i> &nbsp;
In this sequence, the concepts are developed with minimum reorganisation of previously learned information, using a format which is claimed to be easy for students to learn.  ...  Chemical bonding especially is important in understanding the compositions of chemical compounds and related concepts and research has shown that students struggle with this concept.  ...  Learning occurs by (a) adding completely new information to the brain without any link to existing memory (rote learning), (b) completely replacing the existing cognitive structure (replacing a misconception  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1039/c4rp00059e">doi:10.1039/c4rp00059e</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/c32d6s6q6vcuthnsxi5hf274xi">fatcat:c32d6s6q6vcuthnsxi5hf274xi</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20180721141625/https://espace.curtin.edu.au/bitstream/handle/20.500.11937/17520/204959_204959.pdf;jsessionid=88E248870C4D73EEDEA99A8B15C0567A?sequence=2" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/7c/12/7c12243e1d82e557b8b5adc7dd87cf3f703efe24.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1039/c4rp00059e"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="unlock alternate icon" style="background-color: #fb971f;"></i> Publisher / doi.org </button> </a>

Comparing a knowledge-driven approach to a supervised machine learning approach in large-scale extraction of drug-side effect relationships from free-text biomedical literature

Rong Xu, QuanQiu Wang
<span title="">2015</span> <i title="Springer Nature"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/n5zrklrhlzhtdorf4rk4rmeo3i" style="color: black;">BMC Bioinformatics</a> </i> &nbsp;
Through integrative analysis, we demonstrate that the higher-level phenotypic drug-SE relationships reflects lower-level genetic, genomic, and chemical drug mechanisms.  ...  As shown in Figure 4 , drug-drug pairs that share SEs tend to share common pathway and 2D chemical structure, but not gene co-expression profiles.  ...  or chemical structures etc) and can be used to treat the same diseases.  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1186/1471-2105-16-s5-s6">doi:10.1186/1471-2105-16-s5-s6</a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pubmed/25860223">pmid:25860223</a> <a target="_blank" rel="external noopener" href="https://pubmed.ncbi.nlm.nih.gov/PMC4402591/">pmcid:PMC4402591</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/7jhupjq57jhz5ial7js5rvgmbi">fatcat:7jhupjq57jhz5ial7js5rvgmbi</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20190327164101/https://core.ac.uk/download/pdf/81091055.pdf" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/81/52/81525d393f8aa8e942a741dc901a6e87c8a06ea4.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1186/1471-2105-16-s5-s6"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="unlock alternate icon" style="background-color: #fb971f;"></i> springer.com </button> </a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4402591" title="pubmed link"> <button class="ui compact blue labeled icon button serp-button"> <i class="file alternate outline icon"></i> pubmed.gov </button> </a>
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