Chemicalize

Calculations

:Chemical property predictions for any molecule structure. Available calculations include elemental analysis, names and identifiers (IUPAC name, SMILES, InChI), pKa, logP/logD, and solubility.

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Chemical Search

:Structure-based and text-based search against the Chemicalize database to find web page sources and associated structures of the results.

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Compliance Checker

:Checking compounds with respect to national regulations of several countries on narcotics, psychotropic drugs, explosives, hazardous materials, and toxic agents.

January 2009 Original service launched

:The service was launched with the brand name chemicalize.org. The main purpose was to identify chemical names on websites, but other services were also provided, such as property predictions and chemical search.

August 2010 ChemSpider integration

:Predicted chemical properties provided by Chemicalize were integrated to ChemSpider.{{cite web| title = ChemSpider Integrates Chemicalize| last = Williams| first = Antony| url = http://www.chemspider.com/blog/chemspider-integrates-chemicalize.html| website = ChemSpider Blog| date = 2010| access-date = 2011-05-25| archive-url = https://web.archive.org/web/20110712035957/http://www.chemspider.com/blog/chemspider-integrates-chemicalize.html| archive-date = 2011-07-12| url-status = dead}} ChemSpider record pages contain links to access predicted properties on Chemicalize for the considered structure.

September 2016 Renewed version

:The platform was renewed using a new brand name Chemicalize.{{cite conference |url=https://www.chemaxon.com/app/uploads/2016/04/Arpad_Figyelmesi_Chemicalize.pdf |title=The New Chemicalize|first1=Árpád|last1=Figyelmesi|year=2016|location=Budapest|conference=ChemAxon UGM}} The new version offers enriched functionality in freemium model.

May 2018 Chemicalize Professional released

:Embeddable web components and hosted cheminformatics services, for web developers and integrators, based on Chemicalize cloud infrastructure.

File:Chemicalize calculation.png.]]

• IUPAC name
• InChI name
• pKa
• logP and logD
• Solubility
• NMR spectroscopy
• Isoelectric point
• Charge
• Polarizability
• Topology Analysis
• Geometry data
• Polar Surface Area
• Hydrogen bond Donor-Acceptor
• Refractivity
• Structural Framework
• Lipinski's Rule of Five

• ChemAxon
• ChemSpider

• [https://chemicalize.com/ Chemicalize]
• [https://web.archive.org/web/20110722104120/http://blogs.openaccesscentral.com/blogs/ccblog/entry/chemicalize_in_beta CCblog about the chemicalize.org's beta release]
• [https://web.archive.org/web/20100831194427/http://mndoci.com/2010/08/22/chemicalize/ The bbgm blog's article about the chemicalize.org by Deepak Singh]
• [https://web.archive.org/web/20101215061357/http://ddw-online.com/industrynews/584067/chemaxon_extends_chemicalizeorg.html ChemAxon extends chemicalize.org, article in Drug Discovery World]
• [https://web.archive.org/web/20111002150443/http://search.sys-con.com/node/1506273 Article on SYS-CON media]
• [http://www.fiercebiotech.com/press-releases/chemaxon-extends-chemicalize-org-alpha-predicted-data-and-user-customization Article on Fierce BioTech]
• [http://drugdiscoveryopinion.com/2010/08/whats-the-structure-of/ Drug Discovery Opinion article]
• [http://www.chromatographyonline.com/useful-free-tools-hplc-method-development Useful Free Tools for HPLC Method Development]
• [http://www.sample-prep.com/2017/05/09/why-is-ph-adjustment-important-for-sample-prep-methods/ Why is pH adjustment important for sample prep methods?]{{Dead link|date=November 2019 |bot=InternetArchiveBot |fix-attempted=yes }}

{{Chemistry software}}

Category:Chemical databases

Category:Computational chemistry software