Generative machine learning for de novo drug discovery: A systematic review

2022/03/13 by Dominic D. Martinelli · 180 citations
Computer Science · Materials Science · #Artificial intelligence #Artificial neural network #Bioinformatics #Computational Drug Discovery Methods #Computer science #Deep learning #Drug discovery #Generative grammar #Interpretability #Machine Learning in Materials Science #Machine learning #Recurrent neural network #Rendering (computer graphics)

paper · doi:10.1016/j.compbiomed.2022.105403

published in Computers in Biology and Medicine 145, 105403 (Elsevier BV)

openalex publication_date 2022/03/13 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05

Citations

• Characterization of 3D molecular structure

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