Forms-based querying and viewing of Symyx bioactivity, sourcing, and synthesis databases in the ISIS system.
ISIS Browsers
Reaction Browser tightly integrates Symyx databases with corporate databases and third-party reaction databases to accelerate synthesis planning and process development. (See example Slides 1 and 2).
Integratable Databases:
Metabolite Browser is a complete metabolism information system supporting a metabolite database, registration system, and browsing interface that offers a graphical interface for searching and displaying metabolic schemes stored in the Metabolite Database or corporate databases. (See example Slides 3 through 5)
The Metabolite Database assembles structural metabolic information for particular parent compounds from multiple studies.
ISIS Finders
ACD Finder for Symyx Available Chemicals Directory (ACD), the de facto standard in pharmaceutical, biotechnology, chemical, and agrochemical companies worldwide, provides reliable searches, proven by over 20,000 scientists at over 500 sites for more than 20 years. (See example Slide 6)
SCD Finder for Symyx Screening Compounds Directory (SCD) consolidates high-throughput screening (HTS) supplier offerings into an easy-to-access structure database, complementing Symyx ACD, the industry's choice for sourcing chemicals. (See example Slide 7)
MDDR Finder covers the patent literature, journals, meetings, and congresses. The MDDR database contains over 132,000 biologically relevant compounds and well-defined derivatives, with updates adding about 10,000 a year to the database. (See example Slide 8)
CMC Finder, derived from the Drug Compendium in Elsevier’s Comprehensive Medicinal Chemistry (CMC), provides 3D models and important biochemical properties including drug class, logP, and pKa values for over 8,400 pharmaceutical compounds (1900-present). (See example Slide 9)
NCI Finder for the National Cancer Institute Databases, (a public service with no maintenance charges or implied intent to update the files) provides access to over 213,000 structures with corresponding 3D models along with non-proprietary samples, compounds that have been tested for AIDS antiviral activity, and compounds with dose response data for inhibition of human tumor cell lines growth. (See example Slide 10)
Toxicity Finder provides access to Symyx Toxicity, a structure-searchable bioactivity database of toxic chemical substances. (See example Slide 11)
Toxic Chemical Substances Covered
- Species of organism studied
- Tissue studied
- Route of administration
- Dose
- Endpoint
- Toxic effects descriptors
- Severity of response
- CAS Registry Numbers
- Beilstein Registry Numbers
- Chemical names and synonyms
- Molecular formula
- Molecular weight
