Expanding the fragrance chemical space for virtual screening
نویسندگان
چکیده
منابع مشابه
Expanding the fragrance chemical space for virtual screening
The properties of fragrance molecules in the public databases SuperScent and Flavornet were analyzed to define a "fragrance-like" (FL) property range (Heavy Atom Count ≤ 21, only C, H, O, S, (O + S) ≤ 3, Hydrogen Bond Donor ≤ 1) and the corresponding chemical space including FL molecules from PubChem (NIH repository of molecules), ChEMBL (bioactive molecules), ZINC (drug-like molecules), and GD...
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Biorefinery aims at the conversion of biomass and renewable feedstocks into fuels and platform chemicals, in analogy to conventional oil refinery. In the past years, the scientific community has defined a number of primary building blocks that can be obtained by direct biomass decomposition. However, the large potential of this "renewable chemical space" to contribute to the generation of value...
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ژورنال
عنوان ژورنال: Journal of Cheminformatics
سال: 2014
ISSN: 1758-2946
DOI: 10.1186/1758-2946-6-27