AI for Drug Design - Lecture 16 - Deep Learning in the Life Sciences (Spring 2021)

MIT 6.874/6.802/20.390/20.490/HST.506 Spring 2021 Prof. Manolis Kellis Guest lecture: Wengong Jin Deep Learning in the Life Sciences / Computational Systems Biology Playlist: https://youtube.com/playlist?list=PLypiXJdtIca5sxV7aE3-PS9fYX3vUdIOX Latest slides and course today: http://compbio.mit.edu/6874 Spring 2021 slides and materials: http://mit6874.github.io/ 0:00 Introduction 1:16 Drug discovery 3:57 Computational drug discovery 17:14 Deep learning 22:27 Antibiotic discovery 26:30 Traditional approaches 30:16 Antibiotic discovery using GNNs 47:32 Biology aware models 54:35 Incorporating biology and chemistry 1:05:54 De novo drug design 1:06:57 Graph generation 1:13:51 Junction tree variational autoencoder 1:25:03 Conclusion