期刊
MOLECULES
卷 15, 期 5, 页码 3281-3294出版社
MOLECULAR DIVERSITY PRESERVATION INTERNATIONAL-MDPI
DOI: 10.3390/molecules15053281
关键词
QSAR; 4D-QSAR; Structure-based QSAR; Drug Design
资金
- CNPq
- CAPES
- FAPESP
- FAPEG
Drug design is a process driven by innovation and technological breakthroughs involving a combination of advanced experimental and computational methods. A broad variety of medicinal chemistry approaches can be used for the identification of hits, generation of leads, as well as to accelerate the optimization of leads into drug candidates. The quantitative structure-activity relationship (QSAR) formalisms are among the most important strategies that can be applied for the successful design new molecules. This review provides a comprehensive review on the evolution and current status of 4D-QSAR, highlighting present challenges and new opportunities in drug design.
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