Comments on the Definition of the Q2 Parameter for QSAR Validation

By Viviana Consonni, Davide Ballabio, Roberto Todeschini. Journal of Chemical Information and Modeling, 2009

543 citations recorded by the source corpus.

Subfields: Analytical Chemistry, Computational Theory and Mathematics, Organic Chemistry

View Paper: https://www.semanticscholar.org/paper/5c5a874dcbda92511328d87dac2e969055073dae

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Analytical Chemistry

1. Kamel Mansouri
2. Richard S. Judson
3. Christopher M. Grulke
4. Antony J. Williams
5. Viviana Consonni
6. Roberto Todeschini
7. Davide Ballabio
8. Paola Gramatica

In Computational Theory and Mathematics

1. Kamel Mansouri
2. Christopher M. Grulke
3. Richard S. Judson
4. Antony J. Williams
5. Roberto Todeschini
6. Viviana Consonni
7. Davide Ballabio
8. Ivan Gutman

In Organic Chemistry

1. Roberto Todeschini
2. Davide Ballabio
3. Viviana Consonni
4. Antony J. Williams

Citations in the corpus

• OPERA models for predicting physicochemical properties and environmental fate endpoints (2018, methodology): “This procedure has been shown to minimize the risk of overfitting [58, 61, 112].”
• Evaluation of model predictive ability by external validation techniques (2010, methodology): “In the case of function Q(2)F3, the averageQ 2 value coincides with theQ(2)EXT value calculated from the external objects considered all together, whereas for function Q(2)F1 this equivalence is not true, as it was demonstrated in our previous paper [15].”