Roberto Todeschini

Computational Theory and Mathematics · 2002–2016

A researcher in the Science corpus: 18 papers; trusts 8 researchers and is trusted by 53 researchers here, as inferred from the citation graph.

Subfields

• Computational Theory and Mathematics — 78 citations into it; #460 of 12,182 by trust here, #176 by citations
• Molecular Biology — 46 citations into it
• Materials Chemistry — 22 citations into it
• Analytical Chemistry — 18 citations into it; #391 of 1,254 by trust here, #259 by citations
• Statistics and Probability — 14 citations into it; #12,553 of 12,932 by trust here, #7,165 by citations
• Artificial Intelligence — 11 citations into it
• Food Science — 8 citations into it
• Control and Systems Engineering — 5 citations into it

Whom Roberto Todeschini trusts overall

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

1. Viviana Consonni
2. Alexander Tropsha
3. Paola Gramatica
4. Bradley Efron
5. Leo Breiman
6. Igor V. Tetko
7. Vladimir Naumovich Vapni
8. Joanna Jaworska

Who trusts Roberto Todeschini overall

1. Ivan Gutman
2. K. C. Das
3. Kexiang Xu
4. Bo Zhou
5. Boris Furtula
6. Matthias Dehmer
7. Alexander Tropsha
8. Igor V. Tetko
9. Franka Miriam Bruckler
10. Kamel Mansouri

Papers from Roberto Todeschini's perspective

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

1. The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models
2. Virtual Computational Chemistry Laboratory – Design and Description
3. Neural Network Studies
4. Principal Component Analysis
5. Evaluation of model predictive ability by external validation techniques
6. Introduction to Multivariate Statistical Analysis in Chemometrics
7. QSAR Applicability Domain Estimation by Projection of the Training Set in Descriptor Space: A Review (Alternatives to laboratory animals : ATLA)
8. Learning with Kernels
9. Learning with Kernels: support vector machines, regularization, optimization, and beyond
10. The Problem of Overfitting

Their papers

• Handbook of Molecular Descriptors (2002) — 3,615 citations
• Virtual Computational Chemistry Laboratory – Design and Description (2005) — 1,460 citations
• Molecular descriptors for chemoinformatics (2009) — 1,169 citations
• Critical Assessment of QSAR Models of Environmental Toxicity against Tetrahymena pyriformis: Focusing on Applicability Domain and Overfitting by Variable Selection (2008) — 393 citations
• QSAR Modeling: Where have you been? Where are you going to? (2014) — 1,811 citations
• Comments on the Definition of the Q2 Parameter for QSAR Validation (2009) — 543 citations
• Comparison of Different Approaches to Define the Applicability Domain of QSAR Models (2012) — 542 citations
• Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information (2011) — 610 citations
• Evaluation of model predictive ability by external validation techniques (2010) — 351 citations
• Multivariate Classification for Qualitative Analysis (2009) — 110 citations
• Handbook of Bibliometric Indicators: Quantitative Tools for Studying and Evaluating Research (2016) — 203 citations
• A novel variable reduction method adapted from space-filling designs (2014) — 81 citations
• Novel Molecular Descriptors Based on Functions of New Vertex Degrees (2010) — 79 citations
• New Local Vertex Invariants and Molecular Descriptors Based on Functions of the Vertex Degrees (2010) — 170 citations
• Multicriteria Decision Making Methods (2009) — 56 citations
• Chemometrics in QSAR (2009) — 58 citations
• DRAGON SOFTWARE: AN EASY APPROACH TO MOLECULAR DESCRIPTOR CALCULATIONS (2006) — 532 citations
• Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors, 1. Theory of the Novel 3D Molecular Descriptors (2002) — 446 citations