Generative artificial intelligence in drug discovery: basic framework, recent advances, challenges, and opportunities

• Main Authors: Amit Gangwal (Author), Azim Ansari (Author), Iqrar Ahmad (Author), Abul Kalam Azad (Author), Vinoth Kumarasamy (Author), Vetriselvan Subramaniyan (Author), Ling Shing Wong (Author)
• Format: Book
• Published: Frontiers Media S.A., 2024-02-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

There are two main ways to discover or design small drug molecules. The first involves fine-tuning existing molecules or commercially successful drugs through quantitative structure-activity relationships and virtual screening. The second approach involves generating new molecules through de novo dr...