QSARINS: A new software for the development, analysis, and validation of QSAR MLR models (Q57819212)

0 references

Nicola Chirico

0 references

Ester Papa

0 references

Stefano Cassani

Journal of Computational Chemistry

0 references

publication date

21 June 2013

0 references

published in

0 references

volume

0 references

issue

0 references

page(s)

2121-2132

0 references

cites work

Best Practices for QSAR Model Development, Validation, and Exploitation

1 reference

Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling research

21 January 2018

1 reference

QSAR Modeling is not "Push a Button and Find a Correlation": A Case Study of Toxicity of (Benzo-)triazoles on Algae.

21 January 2018

1 reference

21 January 2018

1 reference

The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models

21 January 2018

1 reference

Methods for reliability and uncertainty assessment and for applicability evaluations of classification- and regression-based QSARs

21 January 2018

1 reference

The Better Predictive Model: High q2 for the Training Set or Low Root Mean Square Error of Prediction for the Test Set?

21 January 2018

1 reference

Principles of QSAR models validation: internal and external

21 January 2018

1 reference

Global versus local QSPR models for persistent organic pollutants: balancing between predictivity and economy

21 January 2018

1 reference

Investigating the influence of data splitting on the predictive ability of QSAR/QSPR models

21 January 2018

1 reference

QSAR models using a large diverse set of estrogens

21 January 2018

1 reference

External validation and prediction employing the predictive squared correlation coefficient test set activity mean vs training set activity mean.

21 January 2018

1 reference

A concordance correlation coefficient to evaluate reproducibility

21 January 2018

1 reference

Real external predictivity of QSAR models: how to evaluate it? Comparison of different validation criteria and proposal of using the concordance correlation coefficient

21 January 2018

1 reference

Real external predictivity of QSAR models. Part 2. New intercomparable thresholds for different validation criteria and the need for scatter plot inspection

21 January 2018

1 reference

Validated QSAR prediction of OH tropospheric degradation of VOCs: splitting into training-test sets and consensus modeling.

21 January 2018

1 reference

Multivariate Adaptive Regression Splines

21 January 2018

1 reference

y-Randomization and its variants in QSPR/QSAR.

21 January 2018

1 reference

Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis

21 January 2018

1 reference

CADASTER QSPR Models for Predictions of Melting and Boiling Points of Perfluorinated Chemicals

21 January 2018

1 reference

QSAR study of malonyl-CoA decarboxylase inhibitors using GA-MLR and a new strategy of consensus modeling

21 January 2018

1 reference

QSPR as a support for the EU REACH regulation and rational design of environmentally safer chemicals: PBT identification from molecular structure

21 January 2018

1 reference

Evaluation of model predictive ability by external validation techniques

21 January 2018

1 reference

The K correlation index: theory development and its application in chemometrics

21 January 2018

1 reference

journals/jcc/GramaticaCPCK13

21 January 2018

Identifiers

DOI

10.1002/JCC.23361

0 references

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02