Found 230 datasets matching "structure activity".
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Dataset from Foster, M.J., et al., Evaluating structure-based activity in a high-throughput assay for steroid biosynthesis, Computational Toxicology, Vol 24, No. 100245, Nov 2022, DOI...
Search relevance: 139.87 | Views last month: 0 -
The file contains the raw data that was used to generate Figure 2 and 4 from the manuscript Surwade, P., Luxton, T., Clar, J., Xin, F. and Shah, V.H. (2020) Impact of the changes in bacterial...
Search relevance: 97.76 | Views last month: 1 -
Due to the increasing diversity of organic contaminants discharged into anoxic water environments, reactivity prediction is necessary for chemical persistence evaluation for water treatment and...
Search relevance: 79.87 | Views last month: 1 -
The Distributed Structure Searchable Toxicity (DSSTox) online resource provides high quality chemical structures and annotations in association with toxicity data. It helps to build a data...
Search relevance: 69.31 | Views last month: 1 -
Data and supplemental files from COMPARA (A large-scale modeling project). COMPARA combined multiple models developed in collaboration with modelers and computational toxicology scientists from 25...
Search relevance: 33.44 | Views last month: 0 -
Background Baculovirus genomes encode a gene called very late expression factor 1 (VLF-1) that is a member of the integrase (Int) family of proteins. In this report we describe the...
Search relevance: 33.42 | 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: 33.30 | Views last month: 0 -
We have performed high-throughput experimental estimates of five physicochemical properties for a set of 200 chemicals to evaluate the consistency with previous measurements, factors impacting...
Search relevance: 32.74 | Views last month: 0 -
All applicants for a Basic Business License operating from a commercial location in the District of Columbia must provide a Certificate of Occupancy (C of O) for the premise address from which the...
Search relevance: 31.83 | Views last month: 26 -
Smart Home resident may be an Alzheimer patient needing continuous assistance and care giving. Because of forgetfulness, this person may realize activities of daily living erroneously. In order to...
Search relevance: 31.80 | Views last month: 0 -
The dataset has all of the information used to create and evaluate 3 independent QSAR models for the fraction of a chemical unbound by plasma protein (Fub) for environmentally relevant chemicals....
Search relevance: 31.75 | Views last month: 20 -
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: 31.51 | 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: 31.27 | Views last month: 0 -
Designing QSARs for Parameters of High-Throughput Toxicokinetic Models Using Open-Source Descriptors
Additional details used in the methods are found in the MS Word file “S1_Dawson et al._Supporting_Information.docx”. The MS Excel file “S2_Dawson et al. Supporting Information.xlsx” contains...
Search relevance: 31.15 | Views last month: 0 -
Data from which figures and table in "A Model for Risk-Based Screening and Prioritization of Human Exposure to Chemicals from Near-Field Sources" were constructed. This dataset is associated...
Search relevance: 31.08 | Views last month: 3 -
Designing QSARs for parameters of high throughput toxicokinetic models using open-source descriptors
The MS Excel file (Dawson et al S2 Supporting information.xlsx) contains multiple sheets containing the training sets, test sets, and predictions for intrinsic metabolic clearance (Clint),...
Search relevance: 30.46 | Views last month: 0 -
The present invention relates to 2,3-position modified epothilone derivatives, methods of preparation of the derivatives, and intermediates therefor. The compounds of the invention as 16-membered...
Search relevance: 30.23 | Views last month: 0 -
List of chemicals used for model evaluation, their MW, log KOW, and references for the original data source(s), the review(s) the data was collected from, and reference for log KOW as cited in the...
Search relevance: 29.13 | Views last month: 0 -
Background A study for pain relief therapy with 188Re-HEDP was done in patients with bone metastases secondary to breast and prostate cancer. Materials and...
Search relevance: 29.10 | Views last month: 0
