Abstract One of EFSA research priority research areas is to better understand the role of toxicokinetic and its implementation into next generation risk assessment. Food ingredients and contaminants often lack data on their absorption, distribution, metabolism and excretion (ADME) properties, which are needed to model...
Christina Drake, A. Roncaglioni, Domenico Gadaleta et al.· EFSA Supporting Publications· 0 citations
Toxicity prediction remains a longstanding challenge in the safety assessment of numerous artificial chemicals. While conventional single-endpoint models are effective for predicting many molecular properties, they fail to capture the complex mechanisms underlying toxicity, which involve multiple molecular targets, int...
Hao-Yue Tan, Tong Bao, Yin Fang et al.· Proceedings of the National...· 0 citations
Amide bonds are highly present in many chemical products, including pharmaceuticals and polymers. They are constituted from amines and acids, both of which are abundant in the chemical industry. Therefore, there is a need to bring these chemicals into alignment with the recent European Commission (EC) Safe and Sustaina...
F. Nikiforou, G. Selvestrel, Elisabeth I. Söderberg et al.· Environmental Research· 0 citations
A novel multiview feature fusion-based graph representation model (MFF-GRM) for predicting DDI that integrates drug molecular graphs, SMILES sequences, DDI information networks, and drug biological features to learn drug features more comprehensively.
Mengyuan Jin, Dan Liu, E. Benfenati et al.· Applied intelligence (Boston...· 0 citations
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