Search Results - "Thiessen, Paul"

PubChem 2023 update by Kim, Sunghwan, Chen, Jie, Cheng, Tiejun, Gindulyte, Asta, He, Jia, He, Siqian, Li, Qingliang, Shoemaker, Benjamin A, Thiessen, Paul A, Yu, Bo, Zaslavsky, Leonid, Zhang, Jian, Bolton, Evan E

“…PubChem (https://pubchem.ncbi.nlm.nih.gov) is a popular chemical information resource that serves a wide range of use cases. In the past two years, a number of…”
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PubChem in 2021: new data content and improved web interfaces by Kim, Sunghwan, Chen, Jie, Cheng, Tiejun, Gindulyte, Asta, He, Jia, He, Siqian, Li, Qingliang, Shoemaker, Benjamin A, Thiessen, Paul A, Yu, Bo, Zaslavsky, Leonid, Zhang, Jian, Bolton, Evan E

“…Abstract PubChem (https://pubchem.ncbi.nlm.nih.gov) is a popular chemical information resource that serves the scientific community as well as the general…”
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PubChem 2019 update: improved access to chemical data by Kim, Sunghwan, Chen, Jie, Cheng, Tiejun, Gindulyte, Asta, He, Jia, He, Siqian, Li, Qingliang, Shoemaker, Benjamin A, Thiessen, Paul A, Yu, Bo, Zaslavsky, Leonid, Zhang, Jian, Bolton, Evan E

“…Abstract PubChem (https://pubchem.ncbi.nlm.nih.gov) is a key chemical information resource for the biomedical research community. Substantial improvements were…”
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PubChem BioAssay: 2017 update by Wang, Yanli, Bryant, Stephen H, Cheng, Tiejun, Wang, Jiyao, Gindulyte, Asta, Shoemaker, Benjamin A, Thiessen, Paul A, He, Siqian, Zhang, Jian

“…PubChem's BioAssay database (https://pubchem.ncbi.nlm.nih.gov) has served as a public repository for small-molecule and RNAi screening data since 2004…”
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PubChem Substance and Compound databases by Kim, Sunghwan, Thiessen, Paul A, Bolton, Evan E, Chen, Jie, Fu, Gang, Gindulyte, Asta, Han, Lianyi, He, Jane, He, Siqian, Shoemaker, Benjamin A, Wang, Jiyao, Yu, Bo, Zhang, Jian, Bryant, Stephen H

“…PubChem (https://pubchem.ncbi.nlm.nih.gov) is a public repository for information on chemical substances and their biological activities, launched in 2004 as a…”
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Per- and Polyfluoroalkyl Substances (PFAS) in PubChem: 7 Million and Growing by Schymanski, Emma L., Zhang, Jian, Thiessen, Paul A., Chirsir, Parviel, Kondic, Todor, Bolton, Evan E.

“…Per- and polyfluoroalkyl substances (PFAS) are of high concern, with calls to regulate them as a class. In 2021, the Organisation for Economic Co-operation and…”
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An update on PUG-REST: RESTful interface for programmatic access to PubChem by Kim, Sunghwan, Thiessen, Paul A, Cheng, Tiejun, Yu, Bo, Bolton, Evan E

“…Abstract PubChem (https://pubchem.ncbi.nlm.nih.gov) is one of the largest open chemical information resources available. It currently receives millions of…”
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Reforming the Energy Charter Treaty for sustainability? by Thiessen, Paul V

“…This paper analyses and evaluates the ongoing modernisation process of the Energy Charter Treaty (ECT). The ECT, an international investment agreement in force…”
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PubChem Protein, Gene, Pathway, and Taxonomy Data Collections: Bridging Biology and Chemistry through Target-Centric Views of PubChem Data by Kim, Sunghwan, Cheng, Tiejun, He, Siqian, Thiessen, Paul A., Li, Qingliang, Gindulyte, Asta, Bolton, Evan E.

“…[Display omitted] •PubChem is a popular chemical biology information resource at the U.S. NIH.•PubChem contains a wealth of data on chemicals related to…”
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MMDB and VAST+: tracking structural similarities between macromolecular complexes by Madej, Thomas, Lanczycki, Christopher J, Zhang, Dachuan, Thiessen, Paul A, Geer, Renata C, Marchler-Bauer, Aron, Bryant, Stephen H

“…The computational detection of similarities between protein 3D structures has become an indispensable tool for the detection of homologous relationships, the…”
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Discovering pesticides and their TPs in Luxembourg waters using open cheminformatics approaches by Krier, Jessy, Singh, Randolph R., Kondić, Todor, Lai, Adelene, Diderich, Philippe, Zhang, Jian, Thiessen, Paul A., Bolton, Evan E., Schymanski, Emma L.

“…[Display omitted] The diversity of hundreds of thousands of potential organic pollutants and the lack of (publicly available) information about many of them is…”
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PUG-SOAP and PUG-REST: web services for programmatic access to chemical information in PubChem by Kim, Sunghwan, Thiessen, Paul A, Bolton, Evan E, Bryant, Stephen H

“…PubChem (http://pubchem.ncbi.nlm.nih.gov) is a public repository for information on chemical substances and their biological activities, developed and…”
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Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag by Schymanski, Emma L., Kondić, Todor, Neumann, Steffen, Thiessen, Paul A., Zhang, Jian, Bolton, Evan E.

“…Compound (or chemical) databases are an invaluable resource for many scientific disciplines. Exposomics researchers need to find and identify relevant…”
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PubChem 2025 update by Kim, Sunghwan, Chen, Jie, Cheng, Tiejun, Gindulyte, Asta, He, Jia, He, Siqian, Li, Qingliang, Shoemaker, Benjamin A, Thiessen, Paul A, Yu, Bo, Zaslavsky, Leonid, Zhang, Jian, Bolton, Evan E

“…Abstract PubChem (https://pubchem.ncbi.nlm.nih.gov) is a large and highly-integrated public chemical database resource at NIH. In the past two years,…”
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A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open Database by Vaitkus, Antanas, Merkys, Andrius, Sander, Thomas, Quirós, Miguel, Thiessen, Paul A., Bolton, Evan E., Gražulis, Saulius

“…Knowledge about the 3-dimensional structure, orientation and interaction of chemical compounds is important in many areas of science and technology. X-ray…”
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PubChem3D: a new resource for scientists by Bolton, Evan E, Chen, Jie, Kim, Sunghwan, Han, Lianyi, He, Siqian, Shi, Wenyao, Simonyan, Vahan, Sun, Yan, Thiessen, Paul A, Wang, Jiyao, Yu, Bo, Zhang, Jian, Bryant, Stephen H

“…Background PubChem is an open repository for small molecules and their experimental biological activity. PubChem integrates and provides search, retrieval,…”
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InChI version 1.06: now more than 99.99% reliable by Goodman, Jonathan M., Pletnev, Igor, Thiessen, Paul, Bolton, Evan, Heller, Stephen R.

“…The software for the IUPAC Chemical Identifier, InChI, is extraordinarily reliable. It has been tested on large databases around the world, and has proved…”
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PUG-View: programmatic access to chemical annotations integrated in PubChem by Kim, Sunghwan, Thiessen, Paul A., Cheng, Tiejun, Zhang, Jian, Gindulyte, Asta, Bolton, Evan E.

“…PubChem is a chemical data repository that provides comprehensive information on various chemical entities. It contains a wealth of chemical information from…”
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Revealing Chemical Trends: Insights from Data-Driven Visualization and Patent Analysis in Exposomics Research by Aurich, Dagny, Schymanski, Emma L., de Jesus Matias, Flavio, Thiessen, Paul A., Pang, Jun

“…Understanding historical chemical usage is crucial for assessing current and past impacts on human health and the environment and for informing future…”
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PubChem Periodic Table and Element pages: improving access to information on chemical elements from authoritative sources by Kim, Sunghwan, Gindulyte, Asta, Zhang, Jian, Thiessen, Paul A., Bolton, Evan E.

“…Abstract PubChem ( https://pubchem.ncbi.nlm.nih.gov ) is one of the top five most visited chemistry web sites in the world, with more than five million unique…”
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