المؤلفون: Serena Vittorio, Filippo Lunghini, Pietro Morerio, Davide Gadioli, Sergio Orlandini, Paulo Silva, Jan Martinovic, Alessandro Pedretti, Domenico Bonanni, Alessio Del Bue, Gianluca Palermo, Giulio Vistoli, Andrea R. Beccari

المصدر: Computational and Structural Biotechnology Journal, Vol 23, Iss , Pp 2141-2151 (2024)

مصطلحات موضوعية: Artificial intelligence, Deep learning, Molecular docking, Scoring functions, Pose selection, Biotechnology, TP248.13-248.65

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2001037024001727; https://doaj.org/toc/2001-0370

URL الوصول: https://doaj.org/article/ccdbf80f896a465092452dc83d441d51

المؤلفون: Candida Manelfi, Valerio Tazzari, Filippo Lunghini, Carmen Cerchia, Anna Fava, Alessandro Pedretti, Pieter F. W. Stouten, Giulio Vistoli, Andrea Rosario Beccari

المصدر: Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-18 (2024)

مصطلحات موضوعية: Chemical space, SMARTS, Chemical pattern search, Scaffold analysis, Machine learning, Artificial intelligence, Information technology, T58.5-58.64, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1758-2946

URL الوصول: https://doaj.org/article/101e8eb97f5a445990d49b209a9dfd31

المؤلفون: Filippo Lunghini, Anna Fava, Vincenzo Pisapia, Francesco Sacco, Daniela Iaconis, Andrea Rosario Beccari

المصدر: Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-17 (2023)

مصطلحات موضوعية: Virtual screening, Liability profiling, Polypharmacology, Machine learning, Webservice, Information technology, T58.5-58.64, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1758-2946

URL الوصول: https://doaj.org/article/8d1390f14ad24dd29c6388f0449c66e6

المؤلفون: Serena Vittorio, Filippo Lunghini, Alessandro Pedretti, Giulio Vistoli, Andrea R. Beccari

المصدر: Frontiers in Pharmacology, Vol 14 (2023)

مصطلحات موضوعية: hERG, cardiotoxicity, predictive toxicology, machine learning, random forest, docking, Therapeutics. Pharmacology, RM1-950

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fphar.2023.1148670/full; https://doaj.org/toc/1663-9812

URL الوصول: https://doaj.org/article/c29c79c200314f8f90bf7bf9c960b693

المؤلفون: Candida Manelfi, Marica Gemei, Carmine Talarico, Carmen Cerchia, Anna Fava, Filippo Lunghini, Andrea Rosario Beccari

المصدر: Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-19 (2021)

مصطلحات موضوعية: Scaffold analysis, HTS data analysis, Library design, Network visualization, Clustering, Information technology, T58.5-58.64, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1758-2946

URL الوصول: https://doaj.org/article/b10c1ac3c6db4ed495cd340b977ced2d

المؤلفون: Angelica Mazzolari, Pietro Perazzoni, Emanuela Sabato, Filippo Lunghini, Andrea R. Beccari, Giulio Vistoli, Alessandro Pedretti

المصدر: International Journal of Molecular Sciences; Volume 24; Issue 13; Pages: 11064

مصطلحات موضوعية: metabolism prediction, site of metabolism, MetaQSAR, random forest, atom typing

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Molecular Informatics; https://dx.doi.org/10.3390/ijms241311064

الاتاحة: https://doi.org/10.3390/ijms241311064

المؤلفون: Filippo Lunghini, Anna Fava, Vincenzo Pisapia, Francesco Sacco, Daniela Iaconis, Andrea Rosario Beccari

Relation: https://doi.org/10.5281/zenodo.6810940; https://doi.org/10.5281/zenodo.7116859; oai:zenodo.org:7116859

الاتاحة: https://doi.org/10.5281/zenodo.7116859

المؤلفون: Candida Manelfi (10292710), Marica Gemei (3107934), Carmine Talarico (5532122), Carmen Cerchia (1970683), Anna Fava (11179437), Filippo Lunghini (11179440), Andrea Rosario Beccari (11179443)

مصطلحات موضوعية: Cell Biology, Genetics, Biotechnology, Computational Biology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, Scaffold analysis, HTS data analysis, Library design, Network visualization, Clustering

Relation: https://figshare.com/articles/journal_contribution/Additional_file_1_of_Molecular_Anatomy_a_new_multi-dimensional_hierarchical_scaffold_analysis_tool/15047880

الاتاحة: https://doi.org/10.6084/m9.figshare.15047880.v1

المؤلفون: Serena Vittorio, Filippo Lunghini, Alessandro Pedretti, Giulio Vistoli, Andrea R. Beccari

مصطلحات موضوعية: Pharmacology, Basic Pharmacology, Clinical Pharmacology and Therapeutics, Clinical Pharmacy and Pharmacy Practice, Pharmaceutical Sciences, Pharmacogenomics, Toxicology (incl. Clinical Toxicology), Pharmacology and Pharmaceutical Sciences not elsewhere classified, hERG, cardiotoxicity, predictive toxicology, machine learning, random forest, docking

Relation: https://figshare.com/articles/dataset/DataSheet1_Ensemble_of_structure_and_ligand-based_classification_models_for_hERG_liability_profiling_PDF/22322032

الاتاحة: https://doi.org/10.3389/fphar.2023.1148670.s001
https://figshare.com/articles/dataset/DataSheet1_Ensemble_of_structure_and_ligand-based_classification_models_for_hERG_liability_profiling_PDF/22322032

المؤلفون: Carmen Cerchia, Andrea R. Beccari, Candida Manelfi, Filippo Lunghini, Anna Fava, Carmine Talarico, Marica Gemei

المساهمون: Manelfi, C., Gemei, M., Talarico, C., Cerchia, C., Fava, A., Lunghini, F., Beccari, A. R.

المصدر: Journal of Cheminformatics
Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-19 (2021)

مصطلحات موضوعية: Scaffold, Library design, Computer science, HTS data analysi, Information technology, Library and Information Sciences, 01 natural sciences, Clustering, Set (abstract data type), 03 medical and health sciences, Graph drawing, Pruning (decision trees), Physical and Theoretical Chemistry, Representation (mathematics), Cluster analysis, Protocol (object-oriented programming), QD1-999, 030304 developmental biology, Abstraction (linguistics), 0303 health sciences, Network visualization, Anatomy, T58.5-58.64, Scaffold analysis, Computer Graphics and Computer-Aided Design, 0104 chemical sciences, Computer Science Applications, HTS data analysis, 010404 medicinal & biomolecular chemistry, Chemistry, Research Article

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::724a9a3af1c733e7730f6281b05eff63
http://hdl.handle.net/11588/876520

المؤلفون: Candida Manelfi (10292710), Marica Gemei (3107934), Carmine Talarico (5532122), Carmen Cerchia (1970683), Anna Fava (11179437), Filippo Lunghini (11179440), Andrea Rosario Beccari (11179443)

مصطلحات موضوعية: Cell Biology, Genetics, Biotechnology, Computational Biology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, Scaffold analysis, HTS data analysis, Library design, Network visualization, Clustering

Relation: https://figshare.com/articles/dataset/Additional_file_4_of_Molecular_Anatomy_a_new_multi-dimensional_hierarchical_scaffold_analysis_tool/15047889

الاتاحة: https://doi.org/10.6084/m9.figshare.15047889.v1

المؤلفون: Candida Manelfi (10292710), Marica Gemei (3107934), Carmine Talarico (5532122), Carmen Cerchia (1970683), Anna Fava (11179437), Filippo Lunghini (11179440), Andrea Rosario Beccari (11179443)

مصطلحات موضوعية: Cell Biology, Genetics, Biotechnology, Computational Biology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, Scaffold analysis, HTS data analysis, Library design, Network visualization, Clustering

Relation: https://figshare.com/articles/dataset/Additional_file_2_of_Molecular_Anatomy_a_new_multi-dimensional_hierarchical_scaffold_analysis_tool/15047883

الاتاحة: https://doi.org/10.6084/m9.figshare.15047883.v1

المؤلفون: Domenico Maria Cavallo, Andrea Spinazzè, Andrea Cattaneo, Monica Locatelli, Filippo Lunghini, Davide Campagnolo, Sabrina Rovelli

مصطلحات موضوعية: STOFFENMANAGER®, robustness, 010501 environmental sciences, Ecotoxicology, Advanced REACH Tool (ART), 01 natural sciences, Models, Biological, Risk Assessment, Hazardous Substances, Uncertainty factor, 03 medical and health sciences, 0302 clinical medicine, Robustness (computer science), Occupational Exposure, Statistics, Humans, organic solvents, occupational exposure assessment, 0105 earth and related environmental sciences, Mathematics, accuracy, Organic solvent, Public Health, Environmental and Occupational Health, Uncertainty, Regression analysis, pesticides, Entry (data), 030210 environmental & occupational health, occupational exposure models, ECETOC TRA, REACH, Regression Analysis, Occupational exposure, Risk assessment

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9ddcfa93dce850ecf3fb3b5cfbbf0c61
http://hdl.handle.net/11383/2060353