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 substantia...

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Salvato in:
Dettagli Bibliografici
Pubblicato in:J Cheminform
Autori principali: Dong, Jie, Cao, Dong-Sheng, Miao, Hong-Yu, Liu, Shao, Deng, Bai-Chuan, Yun, Yong-Huan, Wang, Ning-Ning, Lu, Ai-Ping, Zeng, Wen-Bin, Chen, Alex F.
Natura: Artigo
Lingua:Inglês
Pubblicazione: Springer International Publishing 2015
Soggetti:
Software
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC4674923/
https://ncbi.nlm.nih.gov/pubmed/26664458
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-015-0109-z
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