PyComp: A Versatile Tool for Efficient Data Extraction, Conversion, and Management in High-throughput Virtual Drug Screening

Virtual screening (VS) is essential for analyzing potential drug candidates in drug discovery. Often, this involves the conversion of large volumes of compound data into specific formats suitable for computational analysis. Managing and processing this wealth of information, especially when dealing...

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Vydáno v:	Current computer-aided drug design Ročník 21; číslo 4; s. 479
Hlavní autoři:	Sisakht, Mohsen, Shahrestanaki, Mohammad Keyvanloo, Fallahi, Jafar, Razban, Vahid
Médium:	Journal Article
Jazyk:	angličtina
Vydáno:	United Arab Emirates 01.01.2025
Témata:	Drug Discovery - methods Drug Evaluation, Preclinical - methods High-Throughput Screening Assays - methods Humans Software User-Computer Interface misidentified compounds pharmaceutical compounds PubChem PyComp high-throughput screening Virtual screening SMILES strings
ISSN:	1875-6697, 1875-6697
On-line přístup:	Zjistit podrobnosti o přístupu
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