R
Roberto Todeschini
Researcher at University of Milano-Bicocca
Publications - 219
Citations - 17540
Roberto Todeschini is an academic researcher from University of Milano-Bicocca. The author has contributed to research in topics: Molecular descriptor & Quantitative structure–activity relationship. The author has an hindex of 50, co-authored 216 publications receiving 15707 citations. Previous affiliations of Roberto Todeschini include University of Insubria & University of North Carolina at Chapel Hill.
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Book
Handbook of Molecular Descriptors
TL;DR: This Users guide notations acronyms list of molecular descriptors contains abbreviations for molecular descriptor values that are useful for counting and topological descriptors calculation.
Journal ArticleDOI
Virtual computational chemistry laboratory - design and description
Igor V. Tetko,Johann Gasteiger,Roberto Todeschini,Andrea Mauri,David J. Livingstone,Peter Ertl,Vladimir A. Palyulin,Eugene V. Radchenko,Nikolai S. Zefirov,Alexander S. Makarenko,Vsevolod Yu. Tanchuk,Volodymyr V. Prokopenko +11 more
TL;DR: The main features and statistics of the developed system, Virtual Computational Chemistry Laboratory, allowing the computational chemist to perform a comprehensive series of molecular indices/properties calculations and data analysis are reviewed.
Journal ArticleDOI
QSAR Modeling: Where have you been? Where are you going to?
Artem Cherkasov,Eugene N. Muratov,Eugene N. Muratov,Denis Fourches,Alexandre Varnek,Igor I. Baskin,Mark T. D. Cronin,John C. Dearden,Paola Gramatica,Yvonne C. Martin,Roberto Todeschini,Viviana Consonni,Victor E. Kuz’min,Richard D. Cramer,Romualdo Benigni,Chihae Yang,James F. Rathman,Lothar Terfloth,Johann Gasteiger,Ann M. Richard,Alexander Tropsha +20 more
TL;DR: In this paper, the authors provide guidelines for QSAR development, validation, and application, which are summarized in best practices for building rigorously validated and externally predictive quantitative structure-activity relationship models.
Book
Molecular descriptors for chemoinformatics
TL;DR: This book presents a meta-modelling framework for QSAR/QSPR Modeling using Greek alphabets, selected from 450 journals and covering the period from the beginning of molecular descriptor research until the year 2008.
Book
Molecular Descriptors for Chemoinformatics : Volume I : Alphabetical Listing / Volume II : Appendices, References
TL;DR: This essential guide to the knowledge and tools in the field includes everything from the basic concepts to modern methods, while also forming a bridge to bioinformatics.