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3 results for “structure-based models”
Supporting data: Structure-based Markov random field model for representing evolutionary constraints on functional sites
<p>Supporting data for the paper:</p> <p>Chan-Seok Jeong, Dongsup Kim. Structure-based Markov random field model for representing evolutionary constraints on functional sites. Submitted. (2015)</p> <p>See 'README' for a description of the contents.</p>
Structure-Based Discovery of Potent WD Repeat Domain 5 Inhibitors that Demonstrate Efficacy and Safety in Preclinical Animal Models
GEO Series GSE203101. Homo sapiens. 12 samples. Type: Expression profiling by high throughput sequencing.
Inactive-enriched machine-learning models exploiting patent data improve structure-based virtual screening for PDL1 dimerizers
<p>The 12 VS scenarios considered in this study employing six training-test data partitions<strong> </strong>(A-F). All training sets employ the same set of 371 actives (WO2015160641A2), but differ on the considered set of inactives and hence are uniquely identified by the latter (either TrueInactives, DeepCoys, RandomDecoys or ActivesOnly). Likewise, all test sets employ the same 297 actives (WO201503820A1), none of them also included in the training set, but different sets of inactives (TrueInactives or DeepCoys). </p> <p> </p> <table align="center"> <caption>Table 1. Six virtual screening scenarios corresponding to six pairs of training-test data for each type of SFs (classification or regression)</caption> <thead> <tr> <th scope="col">Partition ID</th> <th scope="col">Training set</th> <th scope="col">Test set</th> <th scope="col">Type</th> </tr> </thead> <tbody> <tr> <td>A</td> <td>DeepCoys</td> <td>TrueInactives</td> <td>Classification</td> </tr> <tr> <td>B</td> <td>RandomDecoys</td> <td>TrueInactives</td> <td>Classification</td> </tr> <tr> <td>C</td> <td>ActivesOnly</td> <td>TrueInactives</td> <td>Classification</td> </tr> <tr> <td>D</td> <td>TrueInactives</td> <td>DeepCoys</td> <td>Classification</td> </tr> <tr> <td>E</td> <td>RandomDecoys</td> <td>DeepCoys</td> <td>Classification</td> </tr> <tr> <td>F</td> <td>ActivesOnly</td> <td>DeepCoys</td> <td>Classification</td> </tr> <tr> <td>A</td> <td>DeepCoys</td> <td>TrueInactives</td> <td>Regression</td> </tr> <tr> <td>B</td> <td>RandomDecoys</td> <td>TrueInactives</td> <td>Regression</td> </tr> <tr> <td>C</td> <td>ActivesOnly</td> <td>TrueInactives</td> <td>Regression</td> </tr> <tr> <td>D</td> <td>TrueInactives</td> <td>DeepCoys</td> <td>Regression</td> </tr> <tr> <td>E</td> <td>RandomDecoys</td> <td>DeepCoys</td> <td>Regression</td> </tr> <tr> <td>F</td> <td>ActivesOnly</td> <td>DeepCoys</td> <td>Regression</td> </tr> </tbody> </table> <p> </p>
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Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
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DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.