Related Experiment Video
Updated: Jan 22, 2026

In Silico Modeling Method for Computational Aquatic Toxicology of Endocrine Disruptors: A Software-Based Approach Using QSAR Toolbox
Published on: August 28, 2019
In Silico Toxicology Data Resources to Support Read-Across and (Q)SAR
Gopal Pawar1, Judith C Madden1, David Ebbrell1
1School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Liverpool, United Kingdom.
Abstract:
A plethora of databases exist online that can assist in in silico chemical or drug safety assessment. However, a systematic review and grouping of databases, based on purpose and information content, consolidated in a single source, has been lacking. To resolve this issue, this review provides a comprehensive listing of the key in silico data resources relevant to: chemical identity and properties, drug action, toxicology (including nano-material toxicity), exposure, omics, pathways, Absorption, Distribution, Metabolism and Elimination (ADME) properties, clinical trials, pharmacovigilance, patents-related databases, biological (genes, enzymes, proteins, other macromolecules etc.) databases, protein-protein interactions (PPIs), environmental exposure related, and finally databases relating to animal alternatives in support of 3Rs policies. More than nine hundred databases were identified and reviewed against criteria relating to accessibility, data coverage, interoperability or application programming interface (API), appropriate identifiers, types of in vitro, in vivo,-clinical or other data recorded and suitability for modelling, read-across, or similarity searching. This review also specifically addresses the need for solutions for mapping and integration of databases into a common platform for better translatability of preclinical data to clinical data.
Related Concept Videos
Short-distance Transport of Resources
Uncertainty in Measurement: Reading Instruments
Self-Help Support Groups
Accessibility and Cost-Effectiveness
One of the primary strengths of self-help...
Support Reactions
The purpose of the supports is to prevent the translational motion of the system by applying an equal and opposite force and to prevent the system's rotation by applying...
Support Reactions in Three Dimensions
Ball and Socket Joint is one of the supports allowing free rotation about any axis. This freedom of rotation is...
Xylem and Transpiration-driven Transport of Resources

