Quantitative Structure-Toxicity Relationship in Bioactive Molecules from a Conceptual DFT Perspective

• প্রধান লেখক: Ranita Pal (লেখক), Shanti Gopal Patra (লেখক), Pratim Kumar Chattaraj (লেখক)
• বিন্যাস: গ্রন্থ
• প্রকাশিত: MDPI AG, 2022-11-01T00:00:00Z.
• বিষয়গুলি: article
• অনলাইন ব্যবহার করুন: Connect to this object online.

The preclinical drug discovery stage often requires a large amount of costly and time-consuming experiments using huge sets of chemical compounds. In the last few decades, this process has undergone significant improvements by the introduction of quantitative structure-activity relationship (QSAR) m...