COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient
1993 · Journal of the Chemical Society Perkin Transactions 2 · 9,317 citations
https://doi.org/10.1039/p29930000799
G
Gerrit Schüürmann
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Gerrit Schüürmann is an academic researcher. The author has contributed to research in topics: Computational Drug Discovery Methods & Environmental Toxicology and Ecotoxicology & Pharmaceutical and Antibiotic Environmental Impacts. The author has an h-index of 59, co-authored 256 publications.
ORCID: 0000-0002-3789-1703Papers by this author
worksThe SOLUTIONS project: Challenges and responses for present and future emerging pollutants in land and water resources management
2014 · The Science of The Total Environment · 210 citations
https://doi.org/10.1016/j.scitotenv.2014.05.143
ERGO: Breaking Down the Wall between Human Health and Environmental Testing of Endocrine Disrupters
2020 · International Journal of Molecular Sciences · 43 citations
https://doi.org/10.3390/ijms21082954
New approach methods to improve human health risk assessment of thyroid hormone system disruption–a PARC project
2023 · Frontiers in Toxicology · 33 citations
https://doi.org/10.3389/ftox.2023.1189303
A Branch-and-Bound approach for tautomer enumeration
2010 · Journal of Cheminformatics · 31 citations
https://doi.org/10.1186/1758-2946-2-s1-o8
Development of a reactivity-based non-animal testing strategy for identifying the skin sensitization potential of electrophilic and pro-electrophilic chemicals within the framework of REACH
2020 · Open MIND · 0 citations
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