പബ്‌കെം
 | |
|---|---|
| Content | |
| വിവരണം | PubChem |
| Organism(s) | Humans and other animals |
| Contact | |
| Research center | NCBI |
| Primary Citation | 15879180 |
| Access | |
| Website | https://pubchem.ncbi.nlm.nih.gov/ |
| Download URL | FTP |
| Tools | |
| Miscellaneous | |
| License | Public domain |
രാസസയുക്തങ്ങളുടെയും അവയ്ക്ക് ജീവശാസ്ത്രത്തിലുള്ള പ്രവർത്തനത്തെയും പറ്റി അറിവുനൽകുന്ന ഒരു ഡാറ്റാബേസ് ആണ് പബ്‌കെം (PubChem). അമേരിക്കയിലെ ദേശീയ ആരോഗ്യ ഇൻസ്റ്റിറ്റ്യൂട്ടുകളുടെ (NIH) ഭാഗമായ നാഷണൽ ലൈബ്രറി ഓഫ് മെഡിസിന്റെ വിഭാഗമായ നാഷണൽ സെന്റർ ഫോർ ബയോടെക്‌നോളജി ഇൻഫർമേഷൻ (NCBI) ആണ് ഇത് നിലനിർത്തുന്നത്. ഇന്റർനെറ്റിൽ ആർക്കും സൗജന്യമായി ലഭ്യമാകുന്ന രീതിയിൽ ആണ് ഇത് സ്ജ്ജമാക്കിയിരിക്കുന്നത്. ദശലക്ഷക്കണക്കിനു സംയുക്തങ്ങളുടെ ഘടനകളും വിശദമായ അറിവുകളും എഫ് ടി പീ വഴി ആർക്കും ലഭ്യമാകുന്നതാണ്. ആയിരത്തിൽത്താഴെ തന്മാത്രകളും ആയിരത്തിൽത്താഴെ ബന്ധനങ്ങളുമുള്ള വസ്തുക്കളെപ്പറ്റി വിവരങ്ങൾ പബ്‌കെമിൽ ലഭ്യമാണ്. എൺപതിലേറെ സംഘങ്ങളാണ് പബ്‌കെമിന്റെ ഡാറ്റാബേസിന്റെ വളർച്ചയ്ക്ക് സഹായിക്കുന്നത്.[1]
ഡാറ്റാബേസുകൾ
[തിരുത്തുക]PubChem consists of three dynamically growing primary databases. As of 1 November 2017:
- Compounds, 93.9 million entries [2] (up from 54 million entries in Sept 2014), contains pure and characterized chemical compounds.[3]
- Substances, 236 million entries[4] (up from 163 million entries in Sept 2014[5]), contains also mixtures, extracts, complexes and uncharacterized substances.
- BioAssay, bioactivity results from 1.25 million[6] (up from 6000 in Sept 2014[7]) high-throughput screening programs with several million values.
തിരയുവാൻ
[തിരുത്തുക]Searching the databases is possible for a broad range of properties including chemical structure, name fragments, chemical formula, molecular weight, XLogP, and hydrogen bond donor and acceptor count.
PubChem contains its own online molecule editor with SMILES/SMARTS and InChI support that allows the import and export of all common chemical file formats to search for structures and fragments.
Each hit provides information about synonyms, chemical properties, chemical structure including SMILES and InChI strings, bioactivity, and links to structurally related compounds and other NCBI databases like PubMed.
In the text search form the database fields can be searched by adding the field name in square brackets to the search term. A numeric range is represented by two numbers separated by a colon. The search terms and field names are case-insensitive. Parentheses and the logical operators AND, OR, and NOT can be used. AND is assumed if no operator is used.
Example (Lipinski's Rule of Five):
0:500[mw] 0:5[hbdc] 0:10[hbac] -5:5[logp]
ചരിത്രം
[തിരുത്തുക]പബ്‌കെം 2004'ലാണ് സമാരംഭിച്ചത് .[8]
അമേരിക്കൻ കെമിക്കൽ സൊസൈറ്റിയുടെ ഉൽക്കണ്ഠകൾ
[തിരുത്തുക]The American Chemical Society has raised concerns about the publicly supported PubChem database, since it appears to directly compete with their existing Chemical Abstracts Service.[9] They have a strong interest in the issue since the Chemical Abstracts Service generates a large percentage of the society's revenue. To advocate their position against the PubChem database, ACS has actively lobbied the US Congress.
Soon after PubChem's creation, the American Chemical Society lobbied U.S. Congress to restrict the operation of PubChem, which they asserted competes with their Chemical Abstracts Service.[10]
ഡാറ്റാബേസിലെ ഫീൽഡുകൾ
[തിരുത്തുക] | This section വിക്കിപീഡിയയുടെ ഗുണനിലവാരത്തിലും, മാനദണ്ഡത്തിലും എത്തിച്ചേരാൻ വൃത്തിയാക്കി എടുക്കേണ്ടതുണ്ട്. ഈ താളിലെ നിർദ്ദിഷ്ട പ്രശ്നം: തർജ്ജിമ. (ഓഗസ്റ്റ് 2020) |
Identification numbers | ||
| • | Identification number in current database | [UID] |
| • | Substance identification number | [SID] |
| • | Compound identification number | [CID] |
| • | BioAssay identification number | [BAID], [AID] |
General | ||
| • | Any database field | [ALL] |
| • | Comment | [CMT] |
| • | Deposition date | [DDAT], [DEPDAT] |
| • | Depositor's external ID | [SRID], [SRCID] |
| • | Source name | [SRC], [SRCNAM], [SRCNAME] |
| • | Source release date | [SRD], [SRDAT], [RLSDAT] |
| • | Medical Subject Heading (MeSH) term | [MSHT], [MESHT] |
| • | MeSH tree node | [MSHN], [MESHTN] |
| • | MeSH pharmacological actions | [PHMA], [PHARMA] |
Substance properties | ||
| • | Substance synonyms | [SYNO] |
| • | IUPAC name | [UPAC], [IUPAC] |
| • | International Chemical Identifier (InChI) | [INCHI] |
| • | Molecular weight | [MW], [MWT], [MOLWT] |
| • | Chemical elements | [ELMT], [EL] |
| • | Non-Hydrogen atoms | [HAC], [HACNT] |
| • | Isotope count | [IAC], [IACNT] |
| • | Total formal charge | [TFC], [CHG], [CHRG] |
| • | Chiral atom count | [ACC], [ACCNT] |
| • | Defined chiral atom count | [ACDC], [ACDCNT] |
| • | Undefined chiral atom count | [ACUC], [ACUCNT] |
| • | Hydrogen bond acceptor count | [HBAC], [HBACNT] |
| • | Hydrogen bond donor count | [HBDC], [HBDCNT] |
| • | Tautomer count | [TC], [TCNT], [TTMC] |
| • | Rotatable bond count | [RBC], [RBCNT] |
| • | XLogP[11] | [XLGP], [LOGP] |
Compound properties | ||
| • | Compound synonyms | [CSYN], [CSYNO] |
| • | Component count | [CC], [CCNT] |
| • | Covalent unit (molecule) count | [CUC], [CUCNT] |
| • | Total bioactivity count | [TAC] |
ഇവയും കാണുക
[തിരുത്തുക]- Chemical database
- CAS Common Chemistry - run by the American Chemical Society
- Comparative Toxicogenomics Database - run by North Carolina State University
- ChEMBL - run by European Bioinformatics Institute
- ChemSpider - run by UK's Royal Society of Chemistry
- DrugBank - run by the University of Alberta
- IUPAC - run by Swiss based International Union of Pure and Applied Chemistry (IUPAC)
- Moltable - run by India's National Chemical Laboratory
- PubChem - run by the National Institute of Health, USA
- BindingDB - run by the University of California, San Diego
- SCRIPDB - run by the University of Toronto, Canada
- National Center for Biotechnology Information (NCBI) - run by the National Institute of Health, USA
- Entrez - run by the National Institute of Health, USA
- GenBank - run by the National Institute of Health, USA
അവലംബം
[തിരുത്തുക]- ↑ "PubChem Source Information". The PubChem Project. USA: National Center for Biotechnology Information.
- ↑ "Search Results for all compounds". Retrieved 28 January 2016.
- ↑ "all[filt] - PubChem Compound Results". The PubChem Project. USA: National Center for Biotechnology Information. Retrieved 7 January 2011.
- ↑ "all[filt] - PubChem Substance Results". The PubChem Project. USA: National Center for Biotechnology Information. Retrieved 28 January 2016.
- ↑ "all[filt] - PubChem Substance Results". The PubChem Project. USA: National Center for Biotechnology Information. Retrieved 7 January 2011.
- ↑ "all[filt] - PubChem BioAssay Results". The PubChem Project. USA: National Center for Biotechnology Information. Retrieved 28 January 2016.
- ↑ "all[filt] - PubChem BioAssay Results". The PubChem Project. USA: National Center for Biotechnology Information. Retrieved 7 January 2011.
- ↑ "About PubChem". Retrieved 3 May 2014.
- ↑ Kaiser J (May 2005). "Science resources. Chemists want NIH to curtail database". Science. 308 (5723): 774. doi:10.1126/science.308.5723.774a. PMID 15879180.
- ↑ "PubChem and the American Chemical Society". Reshaping Scholarly Communication. USA: University of California.
- ↑ Cheng T (Nov 2007). "Computation of octanol-water partition coefficients by guiding an additive model with knowledge". Journal of Chemical Information and Modeling. 47 (6): 2140–2148. doi:10.1021/ci700257y. PMID 17985865.
പുറത്തേക്കുള്ള കണ്ണികൾ
[തിരുത്തുക]
പബ് കെം ഐഡി (P662) (see uses)- NO LABEL (PUBCHEM IDS) (see IDs%20%3Fvalue%20.%20%23Collecting%20all%20items%20which%20have%20PubChem IDs%20data%2C%20from%20whole%20Wikidata%20item%20pages%0A%09OPTIONAL%20%7B%3FEnglish_Wikipedia_article%20schema%3Aabout%20%3FWikidata_item_%3B%20schema%3AisPartOf%20%3Chttps%3A%2F%2Fen.wikipedia.org%2F%3E%20.%7D%20%23If%20collected%20item%20has%20link%20to%20English%20Wikipedia%2C%20show%20that%0A%09SERVICE%20wikibase%3Alabel%20%7B%20bd%3AserviceParam%20wikibase%3Alanguage%20%22en%22%20%20%7D%20%23Show%20label%20in%20this%20language.%20%22en%22%20is%20English.%20%20%20%0A%7D%0ALIMIT%201000 uses)