Found 50 datasets matching "structure-prediction".
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Read-across is a popular data gap filling technique within category and analogue approaches for regulatory purposes. Acceptance of read-across remains an ongoing challenge with several efforts...
Search relevance: 100.31 | Views last month: 0 -
Background We thoroughly analyse the results of 40 blind predictions for which an experimental answer was made available at the fourth meeting on the critical assessment of protein...
Search relevance: 79.35 | Views last month: 0 -
There are five different files for this dataset: 1. A dataset listing the reported functional uses of chemicals (FUse) 2. All 729 ToxPrint descriptors obtained from ChemoTyper for chemicals in...
Search relevance: 37.78 | Views last month: 6 -
Background Computational predictions are critical for directing the experimental study of protein functions. Therefore it is paradoxical when an apparently erroneous computational...
Search relevance: 37.05 | Views last month: 0 -
In vitro and in vivo data for the estrogen receptor. The in vivo data is for binding, agonism, and antagonism. The in vivo data is from mouse uterotropic assay data. The following columns are...
Search relevance: 36.19 | Views last month: 1 -
This paper compares the relative predictive ability and applicability to NTA workflows of three RT prediction models: (1) a logP (octanol-water partition coefficient)-based model using EPI SuiteTM...
Search relevance: 34.86 | Views last month: 0 -
The aim of this study was to examine the factors related to different patterns of male violence against women. Employing both intra-individual and sociocultural perspectives, the project...
Search relevance: 32.02 | Views last month: 0 -
Regression problems on massive data sets are ubiquitous in many application domains including the Internet, earth and space sciences, and finances. Gaussian Process regression is a popular...
Search relevance: 31.79 | Views last month: 0 -
This dataset provides a prediction for all Tox21 chemicals with available QSUR descriptors across all 41 valid QSUR models developed with FUse. This dataset is associated with the following...
Search relevance: 31.57 | Views last month: 0 -
Background Prediction of protein structures is one of the fundamental challenges in biology today. To fully understand how well different prediction methods perform, it is necessary to...
Search relevance: 31.25 | Views last month: 1 -
This U.S. Geological Survey data release includes bare-earth digital elevation models (DEMs) that were produced by removing elevation bias in vegetated areas from structure-from-motion (SfM) data...
Search relevance: 31.24 | Views last month: 0 -
This data set provides heat detector temperatures in a single story three-compartment structure. 1000 sets of detector temperatures are generated using CData [1]. The data set are obtained based...
Search relevance: 31.01 | Views last month: 0 -
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: 30.18 | Views last month: 1 -
This paper describes a model to take chemical structures and predict a property (the point of departure) for a new chemical. No new data were generated. The contents of this zip file contains...
Search relevance: 29.83 | Views last month: 0 -
This dataset provides eight GEDI forest structure metrics relevant to wildlife habitat modeling and biodiversity assessments at 30-m resolutions across Washington, Oregon, Idaho, Montana, Wyoming,...
Search relevance: 28.57 | Views last month: 0 -
The Tropical Cyclone Intensity (TCI) Hurricane Imaging Radiometer (HIRAD) dataset was created for the TCI field campaign from August 30, 2015 through October 23, 2015. The goal of the TCI field...
Search relevance: 28.02 | Views last month: 0 -
This data release consists of statistical predictions of daily salinity time series generated from the makESTUSAL software repository described by Asquith and others (2023b). The statistical...
Search relevance: 27.90 | Views last month: 0 -
This website was designed to serve two purposes: 1) serve as a modern replacement for the original web site serving the content of NIST Special Publication 922: Polycyclic Aromatic Hydrocarbon...
Search relevance: 27.09 | Views last month: 0 -
Read-across is an important data gap filling technique used within category and analog approaches for regulatory hazard identification and risk assessment. Although much technical guidance is...
Search relevance: 26.21 | Views last month: 0 -
Materials discovery and development necessarily begins with the preparation and identification of product phase(s). Crystalline compounds can be identified by their characteristic diffraction...
Search relevance: 26.06 | Views last month: 2
