The document discusses several toxicological databases that contain information on chemicals and their toxicity. ACToR is EPA's database that contains over 500,000 chemicals searchable by name or structure. LAZAR provides QSAR predictions for liver toxicity, mutagenicity and carcinogenicity. TOXNET contains toxicology data on animals and humans as well as physicochemical properties. Other databases discussed include STITCH, FAERS, TG-GATES, diXa, ChemTunes, ToxGPS, LiverTox, LTKB, eTox and COSMOS, each containing different types of toxicity information on chemicals.

1. Toxicological Databases
SAURABH KUMAR
M.S. (Pharm.)
Niper, Mohali, India

2. AcToR
 ACToR ( Aggregated Computational
Toxicology Resource) is EPA's online
warehouse of publicly available
chemical toxicity data
It provides the numerical data on
over 500,000 environmental
chemicals searchable by chemical
name and/or by chemical structure

3. LAZAR
 Lazy structure–activity
relationships database
Provides QSAR predictions for liver
toxicity, mutagenicity, and
carcinogenicity

4. TOXNET
 Databases on toxicology,
hazardous chemicals,
environmental health, and toxic
releases
User can obtain data on toxic
endpoint related to different
animals and human as well as data
on physicochemical endpoints, such
as boiling points, water solubility,
logP (octanol–water) etc.

5. STITCH
 Search Tool for Interactions of
Chemicals (STITCH)
 Knowledge database to explore known
and predicted interactions between
proteins and small-molecule chemicals
for understanding of molecular and
cellular functions.
 Over 68,000 chemicals are represented

6. FAERS
Adverse Effects Reporting system
(FAERS) of post-market safety
surveillance for all approved drug
and therapeutic biologic product

7. TG-GATES
 Open-TG-GATES stores gene expression
profiles and traditional toxicological data
derived from in vivo (rat) and in vitro
(primary rat hepatocytes, primary
human hepatocytes) exposure to 170
compounds at multiple dosages and time
points
 Toxy-gates is the new interactive version
of data from Open-TG-GATES covering
24,011 samples and 170 compounds

8. diXa
 The diXa database provides a one
stop resource for toxicogenomics
studies with cross-links to chemical
and molecular medicine databases
It contains data from 34 studies
involving 469 compounds and
recently, all the data have been
migrated to the BioStudies (EMBL-
EBI) platform

9. ChemTunes
& ToxGPS
 ChemTunes & ToxGPS consists of in vitro
and in vivo toxicity endpoint specific
alerting chemotypes; mechanism of
action (MOA) based QSAR models,
weight of evidence (WoE) outcomes, and
ToxGPS datasets

10. LiverTox
Organ specific toxicity databases
LiverTox has comprehensive
resource on drug induced liver
injury caused by prescription and
non-prescription drugs, herbals
and dietary supplements

11. LTKB
 Liver Toxicity Knowledge Base, Organ specific
toxicity databases
 It has been developed by the US FDA’s National
Center for Toxicological Research to study drug-
induced liver injury (DILI)
 The data are related to DILI mechanisms, drug
metabolism, histopathology, therapeutic use,
targets, side effects, biomarkers etc.
 DILI consists of 1,036 FDA-approved drugs that are
divided into four classes:
 Most-DILI-concern drug (192 drugs); Less-DILI-
concern drug (278 drugs), No-DILI-concern drug
(312 drugs), and Ambiguous-DILI-concern drug (254
drugs).

12. eTox
 The eTOX database was developed by the
European eTOX project, which was a
consortium of 13 pharmaceuticals, data
curators, modellers and software
developers funded by the EU Innovative
Medicines Initiative (IMI) Joint
Undertaking for 7 years
 The database provides access to data on
repeated dose toxicity and organ specific
toxicity studies and contains models such
as like Human outcomes module,
Ontobrowser, eTox Lab and Limtox.
 It covers data on 1,947 pharmaceuticals
out of which 483 labelled as confidential

13. COSMOS
 COSMOS was another EU funded
project which aimed to develop in silico
models for the prediction of human
repeated dose toxicity of cosmetic
ingredients to optimize safety without
the use of animals by using
computational models
 The tools and approaches includes
application of Thresholds of Toxicological
Concern (TTC) of cosmetics related
substances. The database includes more
than 80,000 chemical records with more
than 40,000 unique structures, 12,000
toxicity studies across 27 endpoints for