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A selection of developed projects

OrbiTox (2025)

Visualization platform for NAMs and read-across exploration of multi-domain data.

https://orbitox.org/

BioBricks.ai (2025)

Versioned data registry for life sciences data assets. Developer and scientific advisor.

https://biobricks.ai/

Integrated Chemical Environment (ICE)

Scientific lead while supporting NICEATM. Web resource for chemical data and in vitro / in silico tools.

https://ice.ntp.niehs.nih.gov/

DASS App (2024)

Computational application of internationally harmonized defined approaches to skin sensitization.

https://doi.org/10.1186/s12859-023-05617-1

ChemMaps v2 (2023)

Webserver to navigate and mine an extended environmental chemical universe.

https://apps.sciome.com/chemmaps/

PFAS-Exchange

Collaborated on enhancing the PFAS-Exchange platform (Ruby).

https://pfas-exchange.org

Tox21BodyMap (2020)

Webtool allowing a user to identify target organs in the human body where a substance is estimated to be more likely to produce effects.

https://apps.sciome.com/bodymap/

InterPred (2020)

Platform to predict interference chemicals based on large-scale chemical screening.

https://apps.sciome.com/interferences/

Key characteristics of carcinogens

Literature and assay mapping for the key characteristics of carcinogens.

https://keycharacteristics.org/ ยท SysRev project

RealityConvert (2017)

Software tool and associated website to convert molecular objects to high-quality 3D models directly compatible for AR and VR applications.

http://www.realityconvert.com

Neighborhood (2017)

Data-mining tools to analyze the neighborhood of selected ionizable groups.

https://github.com/ABorrel/ionic

LSRs (2016)

Method to extract local structural replacements from the Protein Data Bank, optimized for phosphate groups.

https://github.com/ABorrel/LSRs

PockDrug-Server (2015)

Druggability model to predict if a protein pocket can bind a drug-like molecule. The web server also includes tools for pocket analysis.

PockDrug-Server

GOHTAM-server (2012โ€“2015)

Detection of horizontal transfers based on a combination of parametric methods. (no longer available)