ChIN简介页:Daylight Chemical Information Systems, Inc (结构信息处理、化学信息系统开发环境)
首  页 | ChemDB Portal | 帮  助 | 论  坛 |  关于本站 | 动态网页


Daylight Chemical Information Systems, Inc (结构信息处理、化学信息系统开发环境)


     Daylight Chemical Information Systems, Inc. was incorporated in 1987 and grew from the MedChem Project at Pomona College. The invention of the SMILES language, by Dave Weininger, first at the EPA in the early '80s and then Pomona, laid the groundwork for the creation of a new chemical information system.

Daylight's mission has been to provide high performance chemical information processing tools to chemists. New software has been developed continually and the list of available and supported software continues to grow. Emphasis has been placed on the "Daylight Toolkit", a set of programming libraries comprising a "chemical information infrastructure", upon which custom applications can be built. The toolkit has been used both by Daylight developers to build supported applications, by other software developers in their commercially available applications, and by customers to build custom in-house applications.

Currently (v4.6), two platforms are supported: Sun (SunOS) and SGI (IRIX). Remote-toolkit clients are supported on MacOS and Windows.

Daylight has utilized state of the art computing technology in several areas to provide high performance and forward mobility in a rapidly changing computing world. Thor's hashing algorithm and Merlin's RAM-intensive design has provided high speed lookup and search capability since their introduction in 1986 and 1987, respectively. A client-server database system was introduced in 1990 to provide network database access, evolving beyond the mainframe model. The object-oriented programming toolkit was also released that year. Other new subsystems introduced in the '90s include Clustering, Rubicon, the Monomer (combinatorial chemistry) Toolkit, and the Reaction Toolkit. Parallel processing has been exploited to accelerate key tasks, including searching and clustering.

In February 1996, Web-based chemical information access was introduced with "DayCGI." This new chemical information system model is being expanded with other web technologies including Java, which promises increased portability and useability, delivering more chemical information services to more chemists, and advancing Daylight's mission. The first release of Daylight Java tools is 4.61 in 1998.

Daylight's corporate office is in Mission Viejo, California; the research office is in Santa Fe, New Mexico, and the European office is in Cambridge, England.


Thor - client/server chemical information archival
Merlin - client/server fast searching and display of data and structures
Database Package - Thor/Merlin package plus management
MCL - Merlin Control Language; Merlin scripting language
Database Manager Package - Thor and Merlin database management
Printing Package - printing support for PostScript devices
Clustering Package - programs for clustering large structure/reaction databases
Rubicon - a rule-based distance geometry program for 3D conformation generation
PCModels - hydrophobicity and polarizability prediction
CombiChem Package - a set of integrated tools for combinatorial chemistry
Reaction Package - a set of integrated tools for reaction databases
DayCGI - CGI demos and tools for web application design
Java Tools - Java applets and development environment

Toolkits (programming libraries)

SMILES Toolkit- fundamental chem info objects and algorithms
Depict Toolkit - 2D and 3D objects and display
SMARTS Toolkit - substructure description and recognition
Fingerprint Toolkit - chemical structure characterization
Monomer Toolkit - object support for combinatorial mixtures
Thor Toolkit - object-oriented interface to all database operations
Merlin Toolkit - object-oriented interface for high-speed searching
X-Widgets Toolkit - high-level X-Windows user interfaces
Program Object Toolkit - Access your own programs as Daylight objects
Reaction Toolkit - Reaction processing
Remote Toolkit

Remote Toolkit - full toolkit services to PC and Mac network clients; programming environment for PC/Mac toolkit development
Database * Description * Supplier

ACD * Available Chemicals Directory TM * MDLIS Inc.
Aquire * Aquatic Toxicity Information Retrieval * EPA
Asinex * Catalog of organic compounds * AsInEx Ltd.
ChemReact97 & ChemSynth97 * Spresi reaction subset databases *InfoChem GmbH
IBioScreenSC, IBioscreenNP * Synthetic and natural products catalogs * InterBioscreen Ltd.
Maybridge * Organic Chemical Catalog * Maybridge
MedChem * Over 35K structures with measured LogP * Pomona/BioByte
NCI96 * National Cancer Institute database with biological screens * NCI
SPRESI '95 * 3.4 million substances and bibliographic data * InfoChem GmbH
SPRESI '95 Preps * 2.0 million substances and synthesis data * InfoChem GmbH
SpresiReact * comprehensive Spresi reaction database * InfoChem GmbH
TSCA93 * Toxic Substance Control Act * EPA
WDI * World Drug Index TM * Derwent

  SMILES码解释器 (SMILES码转为2D结构式)

Summary by 李晓霞 on 2000-07-13

Last updated by 李晓霞 on 2002-11-25

访问统计 | 软 件 | 论文专著 | 请留言 请在800x600分辨率以上,用IE4.0以上版本浏览
版权所有 © 1998 - 2015 中国科学院过程工程研究所