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- W797684611 abstract "An efficient chemical comparator, a computer application facilitating searching and comparing chemical libraries, is useful in drug discovery and other relevant areas. The need for an efficient and user-friendly chemical comparator prompted us to develop ChemCom (Chemical Comparator) based on Java Web Start (JavaWS) technology. ChemCom provides a user-friendly graphical interface to a number of fast algorithms including a novel algorithm termed UnionBit Tree Algorithm. It utilizes an intuitive stepwise mechanism for selecting chemical comparison parameters before starting the comparison process. UnionBit has shown approximately an 165% speedup on average compared to its closest competitive algorithm implemented in ChemCom over real data. It is approximately 11 times faster than the Open Babel FastSearch algorithm in our tests. ChemCom can be accessed free-of-charge via a user-friendly website at http://bioinformatics.org/chemcom/." @default.
- W797684611 created "2016-06-24" @default.
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- W797684611 date "2015-06-24" @default.
- W797684611 modified "2023-10-01" @default.
- W797684611 title "ChemCom: A Software Program for Searching and Comparing Chemical Libraries" @default.
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- W797684611 doi "https://doi.org/10.1021/ci500713s" @default.
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