Development of a Fragment-Based in Silico Profiler for Michael Addition Thiol Reactivity
نویسندگان
چکیده
منابع مشابه
Development of a Fragment-Based in Silico Profiler for Michael Addition Thiol Reactivity.
The Adverse Outcome Pathway (AOP) paradigm details the existing knowledge that links the initial interaction between a chemical and a biological system, termed the molecular initiating event (MIE), through a series of intermediate events, to an adverse effect. An important example of a well-defined MIE is the formation of a covalent bond between a biological nucleophile and an electrophilic com...
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ژورنال
عنوان ژورنال: Chemical Research in Toxicology
سال: 2016
ISSN: 0893-228X,1520-5010
DOI: 10.1021/acs.chemrestox.6b00099