Results 211 to 220 of about 70,828 (242)

Machine Learning Methods in Computational Toxicology

2018
Various methods of machine learning, supervised and unsupervised, linear and nonlinear, classification and regression, in combination with various types of molecular descriptors, both "handcrafted" and "data-driven," are considered in the context of their use in computational toxicology.
Igor I. Baskin, Igor I. Baskin
openaire   +3 more sources

Mind the Gap! A Journey towards Computational Toxicology

Molecular Informatics, 2016
AbstractComputational methods have advanced toxicology towards the development of target‐specific models based on a clear cause‐effect rationale. However, the predictive potential of these models presents strengths and weaknesses. On the good side, in silico models are valuable cheap alternatives to in vitro and in vivo experiments.
Mangiatordi, G. F., Alberga, D., Altomare, C. D., Carotti, A., Catto, M., Cellamare, S., Gadaleta, D., Lattanzi, G., Leonetti, F., Pisani, L., Stefanachi, A., Trisciuzzi, D., Nicolotti, O.   +12 more
openaire   +5 more sources

Computer Science & Toxicology

2017
Presented to NCCU: Computer Science and ...
openaire   +1 more source

Public Databases Supporting Computational Toxicology

Journal of Toxicology and Environmental Health, Part B, 2010
A major goal of the emerging field of computational toxicology is the development of screening-level models that predict potential toxicity of chemicals from a combination of mechanistic in vitro assay data and chemical structure descriptors. In order to build these models, researchers need quantitative in vitro and ideally in vivo data for large ...
openaire   +3 more sources

Computational Toxicology and Risk Assessment

2017
Presented at SPH-V 546 Guest ...
openaire   +1 more source

The evolving role of investigative toxicology in the pharmaceutical industry

Nature Reviews Drug Discovery, 2023
Francois Pognan, , Richard J Weaver
exaly  

Computational Systems Toxicology

2015
Constantinescu, Simona, Sturla, Shana J, Marra, Giancarlo, Wollscheid, Bernd, Beerenwinkel, Niko   +4 more
openaire   +2 more sources

Computers in toxicological education: An overview

Medical Informatics, 1985
F. Dewhurst, J. M. Cummins, B. A. Long, R. A. Clarke   +3 more
openaire   +3 more sources

Computational toxicology: From cheminformatics to nanoinformatics

Food and Chemical Toxicology, 2018
Antreas Afantitis, Georgia Melagraki
openaire   +2 more sources

Source, migration and toxicology of microplastics in soil

Environment International, 2020
Ming-Hung Wong
exaly