Adam Zalewski

Berlin, BE, Germany

Last Updated: 09/26/2026

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Found 14 publications

Building trust in the integration of artificial intelligence into chemical risk assessment: findings from the 2024 ECETOC workshop.

Building trust in the integration of artificial intelligence into chemical risk assessment: findings from the 2024 ECETOC workshop.

Journal: Archives of toxicology

Published: November 06, 2025

From data silos to insights: the PRINCE multi-agent knowledge engine for preclinical drug development.

From data silos to insights: the PRINCE multi-agent knowledge engine for preclinical drug development.

Journal: Frontiers in artificial intelligence

Published: May 28, 2025

Quantum chemical calculations of nitrosamine activation and deactivation pathways for carcinogenicity risk assessment.

Quantum chemical calculations of nitrosamine activation and deactivation pathways for carcinogenicity risk assessment.

Journal: Frontiers in pharmacology

Published: April 10, 2024

Mechanisms of Nitrosamine Mutagenicity and Their Relationship to Rodent Carcinogenic Potency.

Mechanisms of Nitrosamine Mutagenicity and Their Relationship to Rodent Carcinogenic Potency.

Journal: Chemical research in toxicology

Published: February 05, 2024

MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information.

MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information.

Journal: Journal of chemical information and modeling

Published: August 29, 2023

Don't Overweight Weights: Evaluation of Weighting Strategies for Multi-Task Bioactivity Classification Models.

Don't Overweight Weights: Evaluation of Weighting Strategies for Multi-Task Bioactivity Classification Models.

Journal: Molecules (Basel, Switzerland)

Published: October 21, 2021

Splitting chemical structure data sets for federated privacy-preserving machine learning.

Splitting chemical structure data sets for federated privacy-preserving machine learning.

Journal: Journal of cheminformatics

Published: July 28, 2021

Mechanism of the Dual Activities of Human CYP17A1 and Binding to Anti-Prostate Cancer Drug Abiraterone Revealed by a Novel V366M Mutation Causing 17,20 Lyase Deficiency.

Mechanism of the Dual Activities of Human CYP17A1 and Binding to Anti-Prostate Cancer Drug Abiraterone Revealed by a Novel V366M Mutation Causing 17,20 Lyase Deficiency.

Journal: Pharmaceuticals (Basel, Switzerland)

Published: April 04, 2018

The price of flexibility - a case study on septanoses as pyranose mimetics.

The price of flexibility - a case study on septanoses as pyranose mimetics.

Journal: Chemical science

Published: October 02, 2017

Vitamin D-Dependent Rickets Type 1 Caused by Mutations in CYP27B1 Affecting Protein Interactions With Adrenodoxin.

Vitamin D-Dependent Rickets Type 1 Caused by Mutations in CYP27B1 Affecting Protein Interactions With Adrenodoxin.

Journal: The Journal of clinical endocrinology and metabolism

Published: July 12, 2016

Mutation of Tyr137 of the universal Escherichia coli fimbrial adhesin FimH relaxes the tyrosine gate prior to mannose binding.

Mutation of Tyr137 of the universal Escherichia coli fimbrial adhesin FimH relaxes the tyrosine gate prior to mannose binding.

Journal: IUCrJ

Published: July 05, 2016

Exploring the free-energy landscape of carbohydrate-protein complexes: development and validation of scoring functions considering the binding-site topology.

Exploring the free-energy landscape of carbohydrate-protein complexes: development and validation of scoring functions considering the binding-site topology.

Journal: Journal of computer-aided molecular design

Published: July 07, 2014

Showing 1-12 of 14

Last Updated: 09/26/2026