Beware of q2!

• Review on Predictive Models and Integration Strategies for Holistic Impact Assessment of Chemicals and Materials

  2026 Environmental Science & Technology article Environmental Science Chemistry and Chemical Engineering Open access

  11

  citations
• Prediction of the Extent of Blood–Brain Barrier Transport Using Machine Learning and Integration into the LeiCNS-PK3.0 Model

  2025 Pharmaceutical Research article Computer Science Computational Drug Discovery Methods Open access

  7

  citations
• Determination of excited triplet states of dissolved organic matter using chemical probes: A comparative and mechanistic study

  2023 Journal of Hazardous Materials article Earth and Planetary Sciences Marine and coastal ecosystems Open access

  20

  citations
• APPROPRIATE Life Cycle Assessment: A PRO cess-Specific, PR edictive I mpact A ssessmen T Method for Emerging Chemical Processes

  2023 ACS Sustainable Chemistry & Engineering article Environmental Science Environmental Impact and Sustainability Open access cited by 1 patent

  56

  citations
• Development of a quantitative structure–activity relationship model for predicting quantum yield of hydroxyl radical generation from organic compounds

  2022 Environmental Science Processes & Impacts article Environmental Science Advanced oxidation water treatment Open access

  8

  citations
• QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping

  2020 Journal of Cheminformatics article Computer Science Computational Drug Discovery Methods Open access

  50

  citations
• Development of a quantitative structure-activity relationship model for mechanistic interpretation and quantum yield prediction of singlet oxygen generation from dissolved organic matter

  2020 The Science of The Total Environment article Environmental Science Advanced oxidation water treatment Open access

  19

  citations
• Transition-state rate theory sheds light on ‘black-box’ biodegradation algorithms

  2020 Green Chemistry article Chemistry Chemical Reaction Mechanisms Open access

  7

  citations

8 results