ChemDes: an integrated web-based platform for molecular descriptor and fingerprint computation
نویسندگان
چکیده
منابع مشابه
ChemDes: an integrated web-based platform for molecular descriptor and fingerprint computation
BACKGROUND Molecular descriptors and fingerprints have been routinely used in QSAR/SAR analysis, virtual drug screening, compound search/ranking, drug ADME/T prediction and other drug discovery processes. Since the calculation of such quantitative representations of molecules may require substantial computational skills and efforts, several tools have been previously developed to make an attemp...
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ژورنال
عنوان ژورنال: Journal of Cheminformatics
سال: 2015
ISSN: 1758-2946
DOI: 10.1186/s13321-015-0109-z