Deep Learning-aided Drug Discovery - Magdalena Wiercioch | PyData Global 2021

Deep Learning-aided Drug Discovery Speaker: Magdalena Wiercioch Summary During our presentation we will share the results and experiences connected with implementing state-of-the-art model for cheminformatics process development using deep neural networks. Description The accurate prediction of molecular properties is a critical ingredient toward the societal and technological progress since it could speed up much research progress, such as drug designing and substance discovery. Also, it would cause more initiatives towards a personalized medicine. However, complete exploring “chemical universes” that potentially include infinite sets of compounds seems to be computationally intractable. Obviously, researchers and pharmaceutical industries around the world have brought various methodologies to explore the chemical space that can be categorized into two groups, i.e., in silico and in vitro that includes combinatorial libraries, or high throughput screening. In recent years, advances in
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