Fragment Prioritization on a Large Mutagenicity Dataset

Author:

Floris Matteo12,Raitano Giuseppa3,Medda Ricardo1,Benfenati Emilio3

Affiliation:

1. CRS4 - Center for advanced studies, research and development in Sardinia; Loc. Piscina Manna, Building 1; 09010 Pula (CA) Italy

2. Department of Biomedical Sciences, University of Sassari; Sassari Italy

3. IRCCS - Istituto di Ricerche Farmacologiche “Mario Negri”; Department of Environmental Health Sciences; Laboratory of Environmental Chemistry and Toxicology; Via La Masa 19 20159 Milan Italy

Publisher

Wiley

Subject

Organic Chemistry,Computer Science Applications,Drug Discovery,Molecular Medicine,Structural Biology

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1. Automated detection of toxicophores and prediction of mutagenicity using PMCSFG algorithm;Molecular Informatics;2023-02-02

2. Predicting toxicity from chemical structure of a drug compound;Essentials of Pharmatoxicology in Drug Research, Volume 1;2023

3. The VEGAHUB Platform: The Philosophy and the Tools;Alternatives to Laboratory Animals;2022-03

4. Using VEGAHUB Within a Weight-of-Evidence Strategy;Methods in Molecular Biology;2022

5. In Silico Platforms for Predictive Ecotoxicology;Chemometrics and Cheminformatics in Aquatic Toxicology;2021-10-13

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