A new metric to assess the degree of accuracy of consensus predictions

We proposed a new heuristic metric to assess the degree of accuracy of consensus predictions. It can assist the mapping of reliability in prediction and enhance the delineation of a safe zone, where consensus predictions are expected to have better accuracy. All details are available in the following publication, have a look! We also provide data and code to calculate it, here!

V. Consonni, R. Todeschini, M. Orlandi, D. Ballabio (2024) Kernel-based mapping of reliability in predictions for consensus modelling, Chemometrics and Intelligent Laboratory Systems 246, 105085, https://doi.org/10.1016/j.chemolab.2024.105085


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Molecular Descriptors Data Base

The MOLE db – Molecular Descriptors Data Base is a free on-line database constituted of 1124 molecular descriptors calculated on 234773 molecules, released by Milano Chemometrics and QSAR Research Group: explore the MOLE db data base here!