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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Bibliographische Detailangaben

Veröffentlicht in:	Current computer-aided drug design Jg. 21; H. 4; S. 479
Hauptverfasser:	Sisakht, Mohsen, Shahrestanaki, Mohammad Keyvanloo, Fallahi, Jafar, Razban, Vahid
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	United Arab Emirates 01.01.2025
Schlagworte:	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
Online-Zugang:	Weitere Angaben
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