Databases

BIOVIA ACD is the Gold Standard for chemical sourcing in pharmaceutical, biotechnology, chemical, and agrochemical companies worldwide—used and trusted for more than 25 years by over 20,000 scientists at over 500 sites.

ACD consolidates chemical supplier catalogs into an easy-to-access, structure-searchable database providing information on:

BIOVIA ACD is one of the largest structure-searchable collections of commercially available chemicals in the world, with pricing and supplier information for:

• Over 10 million unique chemicals, including 3D models
• Over 25 million products
• Over 70 million packages
• From about 940 suppliers

With BIOVIA ACD you can:

• Identify and locate commercial sources
• Make side-by-side comparisons of purity, quantity and price
• Save valuable time by accessing information from a single source
• Identify the optimal set of compounds for a synthesis or library, with confidence that those compounds will be available at the indicated prices from the selected suppliers
• Quickly, easily and confidently order compounds from multiple suppliers using the eMolecules fulfillment service

Using powerful chemical search functionality it is easy to find suppliers providing analogs of interest. The database also includes 3D models and links to ChemADVISOR EH&S health and safety data.

BIOVIA SCD complements BIOVIA ACD by consolidating HTS supplier offerings into an easy-to-access, structure-searchable database of over 9 million compounds within commercially available sample collections.

With BIOVIA SCD you can:

• Identify and locate over 9.7 million unique “drug-like” chemicals for high-throughput screening
• Save valuable tim

Toxicity Database includes the contents of the Registry of Toxic Effects of Chemical Substances (RTECS) database, the GENE-TOX database (US Environmental Protection Agency) and the Chemical Carcinogenesis Research Information System database (National Cancer Institute).

The structure-searchable bioactivity database of toxic chemical substances contains data from in vivo and in vitro studies of:

• Acute toxicity
• Mutagenicity
• Tumorigenicity and carcinogenicity
• Skin and eye irritation
• Reproductive effects
• Multiple dose effects

Scientists from a variety of disciplines use the database:

• Toxicologists at pharmaceutical and chemical companies
• Drug Safety scientists, both discovery and preclinical development
• Drug metabolism and pharmacokinetics (DMPK) scientists
• Medicinal chemists
• Clinical toxicologists
• Safety officers in pharmaceutical companies – especially in synthesis scale up and production facilities

CMC helps medicinal chemists, pharmacologists, and molecular modelers validate new pharmacophores, plan combinatorial libraries, develop and corroborate structure-based calculators and predictors, and perform structure-activity relationship (SAR) analyses.

CMC provides:

• 2D and 3D chemical structures
• Biological activity
• Drug class
• pKa
• Calculated logP and Measured logP (CMC on BIOVIA DiscoveryGate has calculated logP values only)
• Calculated compound-based properties (with CMC Finder)
• Generic name
• CAS registry number
• Originating company
• Literature references

MDDR contains over 260,000 biologically relevant compounds and well-defined derivatives. Updates add about 10,000 substances a year to the database. MDDR, jointly produced by BIOVIA and Clarivate Analytics, covers patent literature, journals, meetings, and congresses.

Medicinal chemists, pharmacologists, and molecular modelers use the database to create SAR tables (matching chemical structure to pharmacological effect) and find competitive information about compounds similar to their lead compounds.

MDDR provides:

• Chemical structure
• Calculated properties based on chemical structure
• 3D models
• Compound name – trademarks and company codes
• CAS registry number
• Biological activity based on the Prous classification system
• Description of therapeutic action containing ED50, LD50, inhibition values, etc.
• Patent information including patent number, title, source, priority number and inventors’ names
• Literature references hyperlinked to primary literature (full text, abstracts, patents, conference proceedings, etc.)
• Company codes, generic names, trade names and trademark names
• Originating company
• Development phase in the R&D process