Computational toxicology - Latest research and news

Computational toxicology articles from across Nature Portfolio

Computational toxicology is a branch of toxicology concerned with the development and use of computer-based models to understand and predict the interactions of biological organisms (at population, individual, cellular, and molecular levels) with pollutants in the air, water, soil and food, and their adverse health effects that they may cause.

Latest Research and Reviews

Representing and describing nanomaterials in predictive nanoinformatics

This Review discusses how a comprehensive system for defining nanomaterial descriptors can enable a safe-and-sustainable-by-design concept for engineered nanomaterials.
- Ewelina Wyrzykowska
- Alicja Mikolajczyk
- Tomasz Puzyn
Reviews18 Aug 2022 Nature Nanotechnology
Volume: 17, P: 924-932
An EPA database on the effects of engineered nanomaterials-NaKnowBase
- William K. Boyes
- Bradley Beach
- Holly M. Mortensen
ResearchOpen Access20 Jan 2022 Scientific Data
Volume: 9, P: 12
Towards FAIR nanosafety data

The proposal of a FAIR-aligned Nanosafety Data Interface can advance findability, accessibility and interoperability across physicochemical, bio–nano interaction, human toxicity, omics, ecotoxicological and exposure data.
- Nina Jeliazkova
- Margarita D. Apostolova
- Penny Nymark
Research20 May 2021 Nature Nanotechnology
Volume: 16, P: 644-654
INSIdE NANO: a systems biology framework to contextualize the mechanism-of-action of engineered nanomaterials
- Angela Serra
- Ivica Letunic
- Dario Greco
ResearchOpen Access17 Jan 2019 Scientific Reports
Volume: 9, P: 179
Towards a generalized toxicity prediction model for oxide nanomaterials using integrated data from different sources
- Jang-Sik Choi
- My Kieu Ha
- Hyung-Gi Byun
ResearchOpen Access17 Apr 2018 Scientific Reports
Volume: 8, P: 6110
Toxicity Classification of Oxide Nanomaterials: Effects of Data Gap Filling and PChem Score-based Screening Approaches
- My Kieu Ha
- Tung Xuan Trinh
- Tae Hyun Yoon
ResearchOpen Access16 Feb 2018 Scientific Reports
Volume: 8, P: 3141