Found 51 datasets matching "in silico".
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Data for "Boyce Matthew, Favela Kristin A., Bonzo Jessica A., Chao Alex, Lizarraga Lucina E., Moody Laura R., Owens Elizabeth O., Patlewicz Grace, Shah Imran, Sobus Jon R., Thomas Russell S.,...
Search relevance: 129.89 | Views last month: 0 -
Background Several Retinoic Acid Receptors (RAR) agonists have therapeutic activity against a variety of cancer types; however, unacceptable toxicity profiles have hindered the...
Search relevance: 121.85 | Views last month: 2 -
Dataset for journal article "Comparing the performance and coverage of selected in silico (liver) metabolism tools relative to reported studies in the literature to inform analogue selection in...
Search relevance: 119.19 | Views last month: 0 -
A diverse data set of 1667 chemicals with AR experimental activity were provided by the U.S. EPA from the oxicity Forecaster (ToxCast) program which generates data using in vitro high-throughput...
Search relevance: 110.88 | Views last month: 0 -
QSAR Model Reporting Formats. Examples of R code: feature selection and regression analysis. Figure S1: Data distribution of logBCF, BP, MP and logVP. Figures S2–S5: Relationship between model...
Search relevance: 109.05 | Views last month: 2 -
Supplemental data for "Schaupp CM, Maloney EM, Mattingly K, Olker JH, Villeneuve DL. Comparison of in silico, in vitro, and in vivo toxicity benchmarks suggests a role for ToxCast data in...
Search relevance: 97.29 | Views last month: 1 -
Dataset for "Combining in vitro and in silico New Approach Methods to investigate type 3 iodothyronine deiodinase chemical inhibition across species". This dataset is associated with the...
Search relevance: 93.05 | Views last month: 0 -
Dataset for Robarts et al., 'Hepatic Transcriptome Comparative In Silico Analysis Reveals Similar Pathways and Targets Altered by Legacy and Alternative Per- and Polyfluoroalkyl Substances in...
Search relevance: 92.82 | Views last month: 0 -
The US EPA Toxicity Forecasting (ToxCast) project has involved the generation of large amount of high throughput in vitro data (Over 4000 chemicals tested in between 100 and 700 assays). This data...
Search relevance: 92.46 | Views last month: 0 -
Estimates of ionization equilibrium constants (i.e., pKa) were analyzed for 8,132 pharmaceuticals and 24,281 other compounds to which humans might be exposed in the environment. Results revealed...
Search relevance: 88.81 | Views last month: 0 -
All data associated with publication are publicly available online at https://datadryad.org/ by searching doi:10.5061/dryad.2tg6967 Upon accessing data on datadryad.org: Data descriptions are...
Search relevance: 66.49 | Views last month: 0 -
Background Genome sequencing and bioinformatics are producing detailed lists of the molecular components contained in many prokaryotic organisms. From this 'parts catalogue' of a...
Search relevance: 45.07 | Views last month: 1 -
Background Gonadotropin releasing hormone (GnRH) is responsible for stimulation of gonadotropic hormone (GtH) in the hypothalamus-pituitary-gonadal axis (HPG). The regulatory mechanisms...
Search relevance: 43.78 | Views last month: 1 -
Neurotox data on in silico predicted chemicals to cause protein adducts in peripheral neurons. Includes cytotoxicity (LDH release), changes in neuron network architecture using high content...
Search relevance: 42.36 | Views last month: 0 -
This data includes metabolite predictions for in vitro inactive chemicals, predictions of those metabolite's estrogen receptor binding activity, in vitro and in silico information regarding parent...
Search relevance: 36.07 | Views last month: 0 -
Datasets for Benjamin Deacon, et al. 'Computational Modelling of the Impact of Evaporation on In-Vitro Dermal Absorption', Pharmaceutical Research, Vol 41, pg 1979-1990, 2024, DOI...
Search relevance: 35.25 | Views last month: 0 -
The CottonGen CottonCyc Pathways Database, part of CottonGen, supports searching and browsing the following CottonCyc databases: Cyc pathways for JGI v2.0 G. raimondii D5 genome assembly This...
Search relevance: 34.63 | Views last month: 1 -
Characterization of 100 chemicals for electrophillic potential using Hard and Soft Acid and Bases theory. The chemicals were ranked for electrophillic potential and a group of chemicals within a...
Search relevance: 33.78 | Views last month: 0 -
Chemical structures, RMSD values, docking scores, additional tables and figures, and methodological details (PDF) Additional information concerning the starting data set, EPA-ARDB.csv...
Search relevance: 33.64 | Views last month: 0 -
In this study, a major effort was undertaken to compile a large genotoxicity dataset (54,805 records for 9299 substances) from several public sources (e.g., TOXNET, COSMOS, eChemPortal). The names...
Search relevance: 33.54 | Views last month: 3
