ChemFinder 8'0

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ChemFinder 8.0 Databases
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Webinar Overview

• ChemFinder Basics
• What is ChemFinder
• Browsing and Querying Databases
• The Database Wizard
• Creating Databases
• The ChemOffice Collection of Databases
• The Merck Index
• ChemACX Ultra
• ChemIndex Ultra
• Online Databases
• The Merck Index
• ChemACX
• ChemIndex
• Compendium of Chiral Auxiliary Applications
  (Academic Press)
• Organic Syntheses

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What is ChemFinder ?

• Chemical Database Management System
• View and Build Your Own Chemical Database
• A relational database tool
• Store chemical structures, physical properties,
  notes and tables of data
• Integrate with ChemDraw
• Search data
• Chemical structure (including sub-structure)
• Wild card text searches
• Numeric range searches
• Create your own forms

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Important Database Definitions

• Field Where the data values are stored
• Numeric, text, date or structure
• Record Set of related data items
• Table Collection of records
• Database - Storehouse for table or tables
• Place where the actual data is stored
• Form Displays information from database
• A window that allows you to view the data
• No chemical or relational information is stored
  in the form

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ChemFinder 8.0
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ChemFinder 8.0 The Basics

• Querying an existing database
• Search all available fields
• Even perform reaction searches
• Browsing through your database
• Browse the data and sort through hits from a
  query
• The Database Wizard
• Creating/Importing a database
• Store all of your structure and relational data
  information

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Searching a Database
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ChemFinder 8.0 Searching An Existing Database

• Sub-Structure Searching
• Use ChemDraw query structures
• Stereochemical properties
• Bond properties
• Search for reactants, products or intermediates
• Text Searching
• Search for exact match with
• Use or to search multiple strings
  simultaneously
• Numeric Searching
• Search numeric ranges using the lt, gt, - and
  operators
• Date Searching
• Search date ranges using the lt, gt, and
  -operators

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Creating a Database
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ChemFinder 8.0 Database Wizard

• Open or create a database
• Select main table for form
• Auto form generation
• Fields to be included
• Style of the form generated
• Data box size
• Where the structure data box is placed

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ChemFinder 8.0 Creating a Database

• ChemFinder automatically generates fields for
  mol_id, structure, formula and molweight

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ChemFinder 8.0 Creating a Database

• Choose from the following field types
• Text field max 50 characters
• Integer field for whole numbers
• Real field for real numbers
• Picture field store Windows metafile
• Memo/Rich Text field no character limit, styled
  text
• Date field dates displayed according to Windows
  Regional Settings
• Structure field for storing structures
• Generates 3 more fields when created Mol_ID,
  Formula and MolWeight

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ChemFinder 8.0 Importing a Database

• Importing Structure Data and Reaction Data
• SDfile A plain text document that stores
  structural and relational data
• RDfile A plain text document that stores
  reaction data and relational data
• Typically stores multiple table data in a flat
  document
• ChemFinder imports (and exports) both

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The ChemOffice Database Collection
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ChemOffice Database Collection
CONTENT
DATABASE
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ChemOffice Database CollectionThe Merck Index CD

• Search and browse 10,250 monographs
• Chemicals, drugs, and biologically active
  molecules
• Names and synonyms
• Physical properties
• Preparations
• Patents and literature references
• Therapeutic uses
• 420 Organic Name Reactions
• Over 60 pages of supplemental tables

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ChemOffice Database CollectionChemACX Ultra DVD
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ChemOffice Database CollectionChemACX

• Products from 330 catalogs
• Over 290,000 unique substances
• Over 540,000 vendor products
• 660,000 vendor SKUs
• Names and synonyms
• Physical properties
• Source Information
• Pricing
• Only most current information

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ChemOffice Database CollectionChemSCX

• Screening Compounds from 15 Vendors
• 512,817 unique chemical substances
• 606,000 products
• 86.5 of the unique substances map to a unique
  product

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ChemOffice Database CollectionChemMSDX

• Over 21,000 MSDS
• PDF Format
• Linked to ChemACX

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ChemOffice Database CollectionChemIndex Ultra DVD
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ChemOffice Database CollectionChemIndex Ultra

• Based on award winning www.ChemFinder.Com
• Over 78,000 compounds
• Names and synonyms
• Physical properties
• Internet references
• Separate fullerene database
• 3D coordinates preserved

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ChemOffice Database CollectionChemRXN

• ChemPrep
• gt16,000 reactions
• Extracted by ISI for ChemOffice from their
  Reaction Citation Index
• ChemSelect
• gt13,000 reaction
• Selected by InfoChem, GmbH for inclusion in
  ChemOffice

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ChemOffice Database CollectionNCI, AIDS, and
Cancer

• NCI Developmental Therapeutics Program
• Over 200,000 compounds
• Synonyms
• CAS RNs

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ChemOffice Database CollectionNCI, AIDS, and
Cancer

• AIDS screening results on over 43,905 records in
  the NCI collection
• EC50 (effective concentration, a measure of
  protective effect)
• IC50 (inhibits the growth of uninfected cells by
  50)

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ChemOffice Database CollectionNCI, AIDS, and
Cancer

• Human Tumor Cell Line screening results on 41,000
  records
• 60 different human tumor cell lines
• leukemia, melanoma and cancers of the lung,
  colon, brain, ovary, breast, prostate, and kidney
• dose response data at at least 5 concentrations
• GI50 (50 Growth Inhibition)
• TGI (Total Growth Inhibition)
• LC50 (50 Lethal Concentration)

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Online Database Collection
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Benefits of Online Databases

• Portability
• No need to carry around book, CD, laptop, etc.
• Can access from any computer with an Internet
  connection
• Ease of use
• ChemDraw Plugin for structure searching
• Resource Friendly
• Small Footprint
• Internet Browser and ChemDraw Plugin
• Availability
• Average uptime over 97
• Personal or enterprise wide subscriptions
  available
• Currency
• Access the most current version of the database
  available

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Online Databases brought to you by CambridgeSoft
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