Methodology of Manually Curating Datasets
Datasets are an essential part of QSAR/in silico modeling. We, at QSAR World try to provide you with the latest and authentic data. In line with that endeavour, we present manually curated datasets compiled from several peer-reviewed journals in the domain of QSAR modeling. The list is updated regularly so keep checking for new datasets. We follow the methodology described below to curate the datasets listed here.
Request a Dataset: E-mail us your request at
edi...@qsarworld.com with complete reference to the paper and data table no. in paper from which data need to be curated. We will curate and post the requested dataset subject to resource constraints.
Methodology
- Useful datasets are identified by our scientists from publicly available journal papers.
- All relevant activity and other values are collected from values given by authors in respective papers.
- Structures of all molecules included in the dataset are either drawn
(using MarvinSketch) or downloaded from public websites (like ChemIDplus).
- All structures and activity data are put together as an SDF file.
- We also make the data files available in Strand's proprietary file
format AMP. (These files contain structures, optimized structures and 1080+ 2D and 3D descriptors.)
- Users may download the AMP file and open it directly in the trial version of Strand's in silico modeling tool - SarchitectTM.
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