QSPRpred: a Flexible Open-Source Quantitative Structure-Property Relationship Modelling Tool

Abstract Building reliable and robust quantitative structure–property relationship (QSPR) models is a challenging task. First, the experimental data needs to be obtained, analyzed and curated. Second, the number of available methods is continuously growing and evaluating different algorithms and met...

Popoln opis

Bibliografske podrobnosti

Principais autores:	Helle W. van den Maagdenberg, Martin Šícho, David Alencar Araripe, Sohvi Luukkonen, Linde Schoenmaker, Michiel Jespers, Olivier J. M. Béquignon, Marina Gorostiola González, Remco L. van den Broek, Andrius Bernatavicius, J. G. Coen van Hasselt, Piet. H. van der Graaf, Gerard J. P. van Westen
Format:	Artigo
Jezik:	Inglês
Izdano:	BMC 2024-11-01
Serija:	Journal of Cheminformatics
Teme:	QSPR modelling QSAR modelling Proteochemometrics Cheminformatics Machine learning Software
Online dostop:	https://doi.org/10.1186/s13321-024-00908-y
Oznake:	Označite Brez oznak, prvi označite!