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Project

Transforming into a sustainable European pharmaceutical sector

Information

Project Team

Outputs and Outcomes

Publications

Geometric deep learning for molecular property predictions with chemical accuracy across chemical space

Maarten DobbelaereIstvan LengyelChristian StevensKevin Van Geem

A1 Journal Article in JOURNAL OF CHEMINFORMATICS

2024

Rxn-INSIGHT : fast chemical reaction analysis using bond-electron matrices

Maarten DobbelaereIstvan LengyelChristian StevensKevin Van Geem

A1 Journal Article in JOURNAL OF CHEMINFORMATICS

2024

Water brownness regulates the bioavailability of a fluoroquinolone antibiotic : UV-absorbance as a predictor of ciprofloxacin ecotoxicity

Qiyun ZhangKristof DemeestereKarel De Schamphelaere

A1 Journal Article in ENVIRONMENTAL POLLUTION

2023