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Machine Learning

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2018: AI Is Surging In Drug Discovery Market

   by Andrii Buvailo    13702
2018: AI Is Surging In Drug Discovery Market

Updated: 10.01.2019. Newly added content is marked in the text with "Update" sign.

The idea of using artificial intelligence (AI) to accelerate drug discovery process and boost a success rate of pharmaceutical research programs has inspired a surge of activity in this area over the last several years. In 2018, things are getting even “hotter” with the increase in the amount of partnerships, investments and other important events, summarized and grouped below into “mini-trends”.

Genenerative AI Models In Small Molecule Drug Discovery: The Open Challenge To Create A Unified Benchmark

   by Mostapha Benhenda    3278
Genenerative AI Models In Small Molecule Drug Discovery: The Open Challenge To Create A Unified Benchmark

Generative AI models in chemistry are increasingly popular in the research community, mainly, due to their interest for drug discovery applications. They generate virtual molecules with desired chemical and biological properties (more details in this blog post).

However, this flourishing literature still lacks a unified benchmark. Such benchmark would provide a common framework to evaluate and compare different generative models. Moreover, it would help to formulate best practices for this emerging industry of ‘AI molecule generators’: how much training data is needed, for how long the model should be trained, and so on.