Detecting co-cultivation induced chemical diversity via 2D NMR fingerprints
نویسندگان
چکیده
منابع مشابه
Co-Cultivation—A Powerful Emerging Tool for Enhancing the Chemical Diversity of Microorganisms
Marine-derived bacteria and fungi are promising sources of novel bioactive compounds that are important for drug discovery programs. However, as encountered in terrestrial microorganisms there is a high rate of redundancy that results in the frequent re-discovery of known compounds. Apparently only a part of the biosynthetic genes that are harbored by fungi and bacteria are transcribed under ro...
متن کاملUltrafast solid-state 2D NMR experiments via orientational encoding.
Among the methods proposed in recent years toward the acceleration of multidimensional NMR acquisitions is an "ultrafast" approach, capable of delivering arbitrary 2D correlations within a single scan. This scheme operates by parallelizing the indirect-domain temporal incrementation involved in 2D acquisitions, using as aid an ancillary inhomogeneous frequency broadening acting in combination w...
متن کاملEffectiveness of 2D fingerprints for scaffold hopping.
BACKGROUND It has been suggested that similarity searching using 2D fingerprints may not be suitable for scaffold hopping. METHODS This article reports a detailed evaluation of the effectiveness of six common types of 2D fingerprints when they are used for scaffold-hopping similarity searches of the Molecular Design Limited Drug Data Report database, World of Molecular Bioactivity database an...
متن کاملSimilarity-based virtual screening using 2D fingerprints.
This paper summarizes recent work at the University of Sheffield on virtual screening methods that use 2D fingerprint measures of structural similarity. A detailed comparison of a large number of similarity coefficients demonstrates that the well-known Tanimoto coefficient remains the method of choice for the computation of fingerprint-based similarity, despite possessing some inherent biases r...
متن کاملComparing chemical fingerprints for ecotoxicology
We present a comparison between 14 chemical fingerprints using 1D/2D features and PMCSFG, a data mining method that induces features based on maximum common subgraphs. We provide an experimental evaluation and discuss the usefulness of the different methods on ecotoxicology data. The features generated by data mining yield a similar performance for predicting toxicity, while they are more inter...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Microbiology Australia
سال: 2019
ISSN: 1324-4272
DOI: 10.1071/ma19054