Paola Gramatica

Computational Theory and Mathematics · 2003–2016

A researcher in the Science corpus: 11 papers; trusts 6 researchers and is trusted by 36 researchers here, as inferred from the citation graph.

Subfields

• Computational Theory and Mathematics — 83 citations into it; #715 of 12,182 by trust here, #400 by citations
• Molecular Biology — 43 citations into it; #5,145 of 17,773 by trust here, #9,270 by citations
• Materials Chemistry — 32 citations into it; #2,210 of 11,513 by trust here, #5,047 by citations
• Statistics and Probability — 23 citations into it
• Analytical Chemistry — 19 citations into it
• Environmental Chemistry — 5 citations into it; #683 of 1,450 by trust here, #919 by citations

Whom Paola Gramatica trusts overall

Their strongest outbound trust, strongest first, inferred from their citations.

1. Alexander Tropsha
2. Nicola Chirico
3. Viviana Consonni
4. Douglas M. Hawkins
5. Jure Zupan
6. Kunal Roy
7. Davide Ballabio
8. Roberto Todeschini
9. Lennart Eriksson

Who trusts Paola Gramatica overall

1. Désirée Baumann
2. Octavio Loyola-González
3. Johannes Karl Fink
4. Knut Baumann
5. Igor V. Tetko
6. Pedro Franco
7. Kunal Roy
8. Nicola Chirico
9. Iurii Sushko
10. John B. O. Mitchell

Papers from Paola Gramatica's perspective

Ordered by how strongly the researchers Paola Gramatica trusts endorse each paper. Same corpus, a different order for every researcher.

1. Density Estimation for Statistics and Data Analysis
2. Nonparametric Density Estimation: Toward Computational Tractability
3. Beware of q2! (Journal of Molecular Graphics and Modelling)
4. The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models
5. The Problem of Overfitting
6. A Mathematical Theory of Communication
7. Neural Network Studies
8. Multi‐ and Megavariate Data Analysis. Principles and Applications, I. Eriksson, E. Johansson, N. Kettaneh‐Wold and S. Wold, Umetrics Academy, Umeå, 2001, ISBN 91‐973730‐1‐X, 533pp.
9. Principles of QSAR models validation: internal and external
10. The Gene Ontology Consortium

Their papers

• The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models (2003) — 2,066 citations
• QSAR Modeling: Where have you been? Where are you going to? (2014) — 1,811 citations
• Principles of QSAR models validation: internal and external (2007) — 2,030 citations
• Current Status of Methods for Defining the Applicability Domain of (Quantitative) Structure-Activity Relationships (2005) — 797 citations
• Methods for reliability and uncertainty assessment and for applicability evaluations of classification- and regression-based QSARs. (2003) — 1,208 citations
• Real External Predictivity of QSAR Models: How To Evaluate It? Comparison of Different Validation Criteria and Proposal of Using the Concordance Correlation Coefficient (2011) — 710 citations
• A Historical Excursus on the Statistical Validation Parameters for QSAR Models: A Clarification Concerning Metrics and Terminology (2016) — 372 citations
• QSARINS‐chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS (2014) — 352 citations
• QSARINS: A new software for the development, analysis, and validation of QSAR MLR models (2013) — 679 citations
• Real External Predictivity of QSAR Models. Part 2. New Intercomparable Thresholds for Different Validation Criteria and the Need for Scatter Plot Inspection (2012) — 497 citations
• Chemometrics in QSAR (2009) — 58 citations