D. Asturiol

发表

EURL ECVAM Genotoxicity and Carcinogenicity Database of Substances Eliciting Negative Results in the Ames Test: Construction of the Database

P. White, F. Madia, D. Kirkland, 2020, Mutation research.

The virtual cell based assay: Current status and future perspectives

A. Worth, M. Whelan, L. Lamon, 2017, Toxicology in vitro : an international journal published in association with BIBRA.

Computational models for the safety assessment of nanomaterials

Karin Aschberger, David Asturiol, Lara Lamon, 2017 .

Can currently available non-animal methods detect pre and pro-haptens relevant for skin sensitization?

Silvia Casati, Jean-Pierre Lepoittevin, Andrew P Worth, 2016, Regulatory toxicology and pharmacology : RTP.

Modeling of Nanomaterials for Safety Assessment: From Regulatory Requirements to Supporting Scientific Theories

Andrew Worth, Karin Aschberger, Andrea-Nicole Richarz, 2019, Computational Nanotoxicology.

Role of Physiologically Based Kinetic modelling in addressing environmental chemical mixtures – A review

S. Bopp, L. Lamon, A. Paini, 2019, Computational toxicology.

Intramolecular basis set superposition error effects on the planarity of benzene and other aromatic molecules: a solution to the problem.

P. Salvador, M. Duran, D. Asturiol, 2008, The Journal of chemical physics.

Validation of in vitro methods for human cytochrome P450 enzyme induction: Outcome of a multi-laboratory study

Andrew Worth, Roman Liska, Judy Strickland, 2019, Toxicology in vitro : an international journal published in association with BIBRA.

Electronic states of porphycene-O2 complex and photoinduced singlet O2 production.

M. Barbatti, D. Asturiol, 2013, The Journal of chemical physics.

Dissecting the hindered rotation of ethane.

P. Salvador, I. Mayer, D. Asturiol, 2009, Chemphyschem : a European journal of chemical physics and physical chemistry.

Grouping of multi-walled carbon nanotubes to read-across genotoxicity: A case study to evaluate the applicability of regulatory guidance

Karin Aschberger, David Asturiol, Lara Lamon, 2019, Computational Toxicology.

A general efficient implementation of the BSSE‐free SCF and MP2 methods based on the chemical Hamiltonian approach

I. Mayer, Pedro Salvador, D. Asturiol, 2006, J. Comput. Chem..

Grouping of nanomaterials to read-across hazard endpoints: a review

A Worth, K Aschberger, K. Aschberger, 2018, Nanotoxicology.

Physiologically based mathematical models of nanomaterials for regulatory toxicology: A review

L. Lamon, D. Asturiol, A. Vilchez, 2019, Computational toxicology.

Intramolecular Basis Set Superposition Error Effects on the Planarity of DNA and RNA Nucleobases.

P. Salvador, M. Duran, D. Asturiol, 2009, Journal of chemical theory and computation.

BSSE-free hardness profiles of hydrogen bond exchange in the hydrogen fluoride dimer

P. Salvador, M. Duran, M. Torrent‐Sucarrat, 2006 .

Grouping of nanomaterials to read-across hazard endpoints: from data collection to assessment of the grouping hypothesis by application of chemoinformatic techniques

K. Aschberger, L. Lamon, R. Graepel, 2018, Particle and Fibre Toxicology.

Computational models for the assessment of manufactured nanomaterials: Development of model reporting standards and mapping of the model landscape

L. Lamon, D. Asturiol, A. Vilchez, 2019, Computational toxicology.

Reduced specificity for the local lymph node assay for lipophilic chemicals: Implications for the validation of new approach methods for skin sensitization

N. Kleinstreuer, A. Natsch, D. Asturiol, 2023, Regulatory toxicology and pharmacology : RTP.

Towards a qAOP framework for predictive toxicology - Linking data to decisions

M. E. (Bette) Meek, M. Cronin, L. Ceriani, 2021, Computational Toxicology.

Exploring the sloped-to-peaked S2/S1 seam of intersection of thymine with electronic structure and direct quantum dynamics calculations.

G. Worth, M. Robb, L. Blancafort, 2010, Physical chemistry chemical physics : PCCP.

Benign decay vs. photolysis in the photophysics and photochemistry of 5-bromouracil. A computational study.

J. Rak, L. Blancafort, M. Kobyłecka, 2009, The journal of physical chemistry. A.

SpheraCosmolife: a new tool for the risk assessment of cosmetic products.

E. Benfenati, D. Baderna, A. Manganaro, 2021, ALTEX.

Grouping of nanomaterials to read-across hazard endpoints: from data collection to assessment of the grouping hypothesis by application of chemoinformatic techniques

A Worth, K Aschberger, E Joossens, 2018, Particle and Fibre Toxicology.

Exploring Waiving Opportunities for Mammalian Acute Systemic Toxicity Tests

R. Graepel, P. Prieto, Andrew Paul Worth, 2016, Alternatives to laboratory animals : ATLA.

Consensus of classification trees for skin sensitisation hazard prediction.

A Worth, S. Casati, D Asturiol, 2016, Toxicology in vitro : an international journal published in association with BIBRA.

Dissecting the hindered rotation of ethane.

P. Salvador, I. Mayer, D. Asturiol, 2009, Chemphyschem : a European journal of chemical physics and physical chemistry.

Photophysics of the pi,pi* and n,pi* states of thymine: MS-CASPT2 minimum-energy paths and CASSCF on-the-fly dynamics.

M. Robb, L. Blancafort, B. Lasorne, 2009, The journal of physical chemistry. A.

Photophysics of the π , π * and n , π * States of Thymine : MS-CASPT 2 Minimum-Energy Paths and CASSCF onthe-Fly Dynamics

M. Robb, L. Blancafort, B. Lasorne, 2009 .