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Accelrys Database Descriptions
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Total Records / Sources (September 2011) |
Users / Objectives |
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SOURCING & PROPERTIES |
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Accelrys® Available Chemicals Directory (ACD)
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4.7+ million molecules
830 Catalogs
Updated monthly |
Users:
Chemists and procurement
specialists.
Objectives:
Locate, compare and acquire
specific
chemical products, sometimes from specific suppliers. The database does
provide physical properties of many compounds as available from the
source catalogs. |
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Accelrys® Screening Compounds Directory (SCD)
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9.7+ million molecules
55 Suppliers
Updated quarterly |
Users:
Lead generation groups at life science research groups whether in
academia or commercial
environments.
Objectives:
Compile High-Throughput-Screening (HTS) libraries for automated
bioactivity testing of large collections of samples. |
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ACD look-up for Notebook |
See ACD Above - focused on property data from ACD |
Users:
ELN customers
Objectives:
Associate ELN substance entries in teh materials table with various
physical properties (density, melting point, etc) to facilitate creation
of notebook protocols and records. |
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Chemseek Look-up for Notebook |
40,000+ compounds and mixtures from a variety of reference sources.
Rebuilt by Accelrys in 2010. Same data model as the ACD look-up |
Users:
ELN customers
Objectives:
Associate ELN substance entries in the materials table with various
physical properties (density, melting point, etc) to facilitate creation
of notebook protocols and records. |
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BIOACTIVITY |
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MDDR
Produced by Thomson Reuters and derived from their "Drug Data Report" |
210,00+ molecules
Patents & Citations 1960 - present
Updated biannually |
Users:
Medicinal chemists, molecular modelers, pharmacology researcher
Objectives:
Generate structure libraries of compounds with reported categories of
activity (e.g. anti-arthritic, antihypertensive, etc) or to get
competitive intelligence on compounds reported in Patents by other
companies
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Comprehensive Medicinal Chemistry (CMC)
Based on Elsevier reference of same name |
9,100+ molecules
Other citations 1990 -present
Updated annually |
Users:
Medicinal chemists, molecular modelers, pharmacology researcher
Objectives:
Generate structure libraries of marketed drugs with approved activity or
relate approved activity with a few very simple measured properties. |
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Accelrys® Metabolite (Metabolite)
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14,000+ Parent Compounds
100,000+ biotransformations
Citations 1970 - present
Updated biannually |
Users:
Medicinal chemists, drug metabolism scientists, drug safety experts,
toxicologists, pharmacologists
Objectives:
Correlate chemical structure to metabolic outcomes, find precedence for
metabolic outcomes anticipated for novel compounds (or, slightly
different: anticipate metabolic activity of novel compounds based on
reported metabolites of similar structures) |
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Accelrys® Toxicity (Toxicity)
Based on RTECS, GENE-TOX(USEPA), CCRIS(NCI)
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185,000+ molecules
Source databases enhanced by addition of searchable structures
Updated quarterly |
Users:
Medicinal chemists, drug metabolism scientists, drug safety experts,
toxicologists, pharmacologists
Objectives:
Correlate chemical structure to adverse effects, anticipate toxicity
novel compounds based on reported toxicities of similar structures. |
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Registry of Toxic Effects of Chemical Substances (RTECS) |
170,000+
molecules
Updated
quarterly
ASCII file with no searchable structures |
Users:
Primarily licensed by value-added-resellers (no user-interface supplied
by Accelrys).
Objectives:
Look up adverse effects and supply citations and regulatory information
for reported toxic endpoints. |
