The PubChem chemical structure sketcher

نویسندگان

  • Wolf-Dietrich Ihlenfeldt
  • Evan Bolton
  • Stephen H. Bryant
چکیده

PubChem is an important public, Web-based information source for chemical and bioactivity information. In order to provide convenient structure search methods on compounds stored in this database, one mandatory component is a Web-based drawing tool for interactive sketching of chemical query structures. Web-enabled chemical structure sketchers are not new, being in existence for years; however, solutions available rely on complex technology like Java applets or platform-dependent plug-ins. Due to general policy and support incident rate considerations, Java-based or platform-specific sketchers cannot be deployed as a part of public NCBI Web services. Our solution: a chemical structure sketching tool based exclusively on CGI server processing, client-side JavaScript functions, and image sequence streaming. The PubChem structure editor does not require the presence of any specific runtime support libraries or browser configurations on the client. It is completely platform-independent and verified to work on all major Web browsers, including older ones without support for Web2.0 JavaScript objects.

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Taking the PubChem web sketcher to the next level

The input of chemical structures in the context of Web applications is a well-known interface problem in chemical information processing. Currently, this is typically achieved by using either Java applets, or platformand browser-specific plug-ins both approaches require installation of custom software components which may not be possible in many use cases. Pure client-side JavaScript solutions ...

متن کامل

A virtual file system for the PubChem chemical structure and bioassay database

The PubChem chemical structure and bioassay database (http://pubchem.ncbi.nlm.nih.gov) has established itself as one of the premier information sources for chemical structures and assay data accessible via the Internet. PubChem provides a convenient interactive Web interface for the execution and result display of standard structure and text-based queries. However, the capabilities for formulat...

متن کامل

PubChem Substance and Compound databases

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 component of the Molecular Libraries Roadmap Initiatives of the US National Institutes of Health (NIH). For the past 11 years, PubChem has grown to a sizable system, serving as a chemical information resource for the scientific research ...

متن کامل

PubChem BioAssay: 2014 update

PubChem's BioAssay database (http://pubchem.ncbi.nlm.nih.gov) is a public repository for archiving biological tests of small molecules generated through high-throughput screening experiments, medicinal chemistry studies, chemical biology research and drug discovery programs. In addition, the BioAssay database contains data from high-throughput RNA interference screening aimed at identifying cri...

متن کامل

WebChemDB: An Integrated Chemical Database Retrieval System

WebChemDB is an integrated chemical database retrieval system that provides access to over 8 million publicly available chemical structures, including related information on their biological activities and direct links to other public chemical resources, such as PubChem, ChEBI, and DrugBank. The data are publicly available over the web, using two-dimensional (2D) and three-dimensional (3D) stru...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

عنوان ژورنال:

دوره 1  شماره 

صفحات  -

تاریخ انتشار 2009