Search Results - "Sprankle CS"

Mechanistic computational framework for human half-lives of 931 organic chemicals.

Authors: Zhang, Mengyao Li, Zijian

Source: Environmental Sciences Europe. 2/18/2026, Vol. 38 Issue 1, p1-17. 17p.

A database of human predictive patch test data for skin sensitization.

Authors: Strickland, Judy Abedini, Jaleh Allen, David G. et al.

Source: Archives of Toxicology. Nov2023, Vol. 97 Issue 11, p2825-2837. 13p.

Developing a modern approach to assess ecological risk from pesticides without unnecessary vertebrate animal testing.

Authors: Dreier, David A. Picard, Christian Kabler, Kent et al.

Source: Environmental Chemistry (14482517). 2024, Vol. 21 Issue 3, p1-12. 12p.

Extrapolation of in vitro effect concentrations to in vivo bioavailable concentrations using PBK modelling in humans for two classes of persistent and mobile compounds: triazoles and triazines.

Authors: Ravi Shankar AL Irwan J Spaenig M et al.

Source: Archives of toxicology [Arch Toxicol] 2026 May; Vol. 100 (5), pp. 1877-1901. Date of Electronic Publication: 2026 Feb 17.

Publication Type: Journal Article

Journal Info: Publisher: Springer-Verlag Country of Publication: Germany NLM ID: 0417615 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1432-0738 (Electronic) Linking ISSN: 03405761 NLM ISO Abbreviation: Arch Toxicol Subsets: MEDLINE

A tiered next-generation risk assessment framework integrating toxicokinetics and NAM-based toxicodynamics: "proof of concept" case study using pyrethroids.

Authors: Fernandez-Agudo, Ana Tarazona, Jose V.

Source: Archives of Toxicology. Jul2025, Vol. 99 Issue 7, p2759-2781. 23p.

Evaluation of the fish acute toxicity test for pesticide registration.

Authors: Ceger P Allen D Blankinship A et al.

Source: Regulatory toxicology and pharmacology : RTP [Regul Toxicol Pharmacol] 2023 Mar; Vol. 139, pp. 105340. Date of Electronic Publication: 2023 Jan 23.

Publication Type: Journal Article

Journal Info: Publisher: Elsevier Country of Publication: Netherlands NLM ID: 8214983 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1096-0295 (Electronic) Linking ISSN: 02732300 NLM ISO Abbreviation: Regul Toxicol Pharmacol Subsets: MEDLINE

Comparison of logP and logD correction models trained with public and proprietary data sets.

Authors: Aliagas, Ignacio Gobbi, Alberto Lee, Man-Ling et al.

Source: Journal of Computer-Aided Molecular Design; Mar2022, Vol. 36 Issue 3, p253-262, 10p

Modernizing persistence–bioaccumulation–toxicity (PBT) assessment with high throughput animal-free methods.

Authors: Escher, Beate I. Altenburger, Rolf Blüher, Matthias et al.

Source: Archives of Toxicology. May2023, Vol. 97 Issue 5, p1267-1283. 17p.

Overview of the SAMPL6 pKa challenge: evaluating small molecule microscopic and macroscopic pKa predictions.

Authors: Işık, Mehtap Rustenburg, Ariën S. Rizzi, Andrea et al.

Source: Journal of Computer-Aided Molecular Design; Feb2021, Vol. 35 Issue 2, p131-166, 36p

pKa prediction for small molecules: an overview of experimental, quantum, and machine learning-based approaches.

Authors: Baikété J Malloum A Conradie J

Source: Journal of computer-aided molecular design [J Comput Aided Mol Des] 2025 Nov 25; Vol. 40 (1), pp. 5. Date of Electronic Publication: 2025 Nov 25.

Publication Type: Journal Article; Review

Journal Info: Publisher: Springer Country of Publication: Netherlands NLM ID: 8710425 Publication Model: Electronic Cited Medium: Internet ISSN: 1573-4951 (Electronic) Linking ISSN: 0920654X NLM ISO Abbreviation: J Comput Aided Mol Des Subsets: MEDLINE

Expanded coverage of non-targeted LC-HRMS using atmospheric pressure chemical ionization: a case study with ENTACT mixtures.

Authors: Singh, Randolph R. Chao, Alex Phillips, Katherine A. et al.

Source: Analytical & Bioanalytical Chemistry. Aug2020, Vol. 412 Issue 20, p4931-4939. 9p.

Development and assessment of a ChemInformatics model for accurate pKa prediction in aqueous medium.

Authors: Sanchez, Alec J. Raghavachari, Krishnan

Source: Theoretical Chemistry Accounts: Theory, Computation, & Modeling. Sep2023, Vol. 142 Issue 9, p1-10. 10p.

Miniaturized method for the quantification of persistent organic pollutants and their metabolites in HepG2 cells: assessment of their biotransformation.

Authors: De Oro-Carretero, Paloma Sanz-Landaluze, Jon

Source: Analytical & Bioanalytical Chemistry. Aug2023, Vol. 415 Issue 19, p4813-4825. 13p.

Effect of acrylate chemistry on human health.

Authors: Tuĉek, M. Tenglerová, J. Kollárová, B. et al.

Source: International Archives of Occupational & Environmental Health. Jul2002 Supplement 1, Vol. 75, p67-72. 6p.

Validation of the Electrophilic Allergen Screening Assay for Detection of Key Event 1 of the Skin Sensitization Adverse Outcome Pathway.

Authors: Reinke EN Petersen EJ Gordon JD et al.

Source: Toxics [Toxics] 2026 Jun 11; Vol. 14 (6). Date of Electronic Publication: 2026 Jun 11.

Publication Type: Journal Article

Journal Info: Publisher: MDPI AG Country of Publication: Switzerland NLM ID: 101639637 Publication Model: Electronic Cited Medium: Internet ISSN: 2305-6304 (Electronic) Linking ISSN: 23056304 NLM ISO Abbreviation: Toxics Subsets: PubMed not MEDLINE

Acrylonitrile's genotoxicity profile: mutagenicity in search of an underlying molecular mechanism.

Authors: Albertini, Richard J. Kirman, Christopher R. Strother, Dale E.

Source: Critical Reviews in Toxicology. Feb2023, Vol. 53 Issue 2, p69-116. 48p. 2 Diagrams, 4 Charts, 1 Graph.

The carcinogenicity of dietary acrylamide intake: A comparative discussion of epidemiological and experimental animal research.

Authors: Hogervorst, Janneke G. F. Baars, Bert-Jan Schouten, Leo J. et al.

Source: Critical Reviews in Toxicology. Jul2010, Vol. 40 Issue 6, p485-512. 28p.

A framework for chemical safety assessment incorporating new approach methodologies within REACH.

Authors: Ball, Nicholas Bars, Remi Botham, Philip A. et al.

Source: Archives of Toxicology. Mar2022, Vol. 96 Issue 3, p743-766. 24p.

Recent advances in asthma genetics.

Authors: Jian Zhang Paré, Peter D. Sandford, Andrew J.

Source: Respiratory Research. 2008, Vol. 9, Special section p1-8. 8p.

Global optimization of the Michaelis–Menten parameters using physiologically-based pharmacokinetic (PBPK) modeling and chloroform vapor uptake data in F344 rats.

Authors: Evans, Marina V. Eklund, Christopher R. Williams, David N. et al.

Source: Inhalation Toxicology. Feb2020, Vol. 32 Issue 3, p97-109. 13p.