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- W2478722070 endingPage "317" @default.
- W2478722070 startingPage "269" @default.
- W2478722070 abstract "Although almost fully automated, the discovery of novel, effective, and safe drugs is still a long-term and highly expensive process. Consequently, the need for fleet, rational, and cost-efficient development of novel drugs is crucial, and nowadays the advanced in silico drug design methodologies seem to effectively meet these issues. The aim of this chapter is to provide a comprehensive overview of some of the current trends and advances in the in silico design of novel drug candidates with a special emphasis on 6-fluoroquinolone (6-FQ) antibacterials as potential novel Mycobacterium tuberculosis DNA gyrase inhibitors. In particular, the chapter covers some of the recent aspects of a wide range of in silico drug discovery approaches including multidimensional machine-learning methods, ligand-based and structure-based methodologies, as well as their proficient combination and integration into an intelligent virtual screening protocol for design and optimization of novel 6-FQ analogs." @default.
- W2478722070 created "2016-08-23" @default.
- W2478722070 creator A5042346508 @default.
- W2478722070 creator A5060739262 @default.
- W2478722070 date "2015-01-01" @default.
- W2478722070 modified "2023-09-23" @default.
- W2478722070 title "Integrated in Silico Methods for the Design and Optimization of Novel Drug Candidates" @default.
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