Candida Manelfi, Valerio Tazzari, Filippo Lunghini, Carmen Cerchia, Anna Fava, Alessandro Pedretti, Pieter F. W. Stouten, Giulio Vistoli, Andrea Rosario Beccari. "DompeKeys": a set of novel substructure-based descriptors for efficient chemical space mapping, development and structural interpretation of machine learning models, and indexing of large databases. J. Cheminformatics, 16(1):21, December 2024. [doi]
@article{ManelfiTLCFPSVB24,
title = {"DompeKeys": a set of novel substructure-based descriptors for efficient chemical space mapping, development and structural interpretation of machine learning models, and indexing of large databases},
author = {Candida Manelfi and Valerio Tazzari and Filippo Lunghini and Carmen Cerchia and Anna Fava and Alessandro Pedretti and Pieter F. W. Stouten and Giulio Vistoli and Andrea Rosario Beccari},
year = {2024},
month = {December},
doi = {10.1186/s13321-024-00813-4},
url = {https://doi.org/10.1186/s13321-024-00813-4},
researchr = {https://researchr.org/publication/ManelfiTLCFPSVB24},
cites = {0},
citedby = {0},
journal = {J. Cheminformatics},
volume = {16},
number = {1},
pages = {21},
}