generative chemistry, drug discovery, molecules, stock image

Generative Chemistry

Training machine learning to identify relevant project candidates

新闻与深度文章

2022 Microsoft Research - Year in review graphic
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2022 has seen remarkable progress in fou…

Christopher Bishop, Technical Fellow and Director, Microsoft Research AI4Science
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| Christopher Bishop

Editor’s note, Oct. 20, 2023 – The post …

Diagram showing a
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| Krzysztof Maziarz, Marc Brockschmidt, 和 Marwin Segler

Drug discovery has come a long way from …

Diagram shows The role of computational modelling in the early-stage drug-discovery process. Following target identification and the screening of many molecules to identify possible candidates, the process of optimization can occur by human-led cycles of synthesis and testing in the laboratory. However, if computational modelling is used, most molecules are tested in silico, and it becomes necessary to synthesize and test only a small fraction of the candidate molecules. Just as with in vitro testing, in silico testing must be followed by clinical trials before the drug reaches the market.
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| Marc Brockschmidt 和 Megan Stanley

The drug development process is an itera…

generative chemistry, drug discovery, molecules, stock image
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| Alex Gaunt, Marc Brockschmidt, 和 Miltos Allamanis

In 1928, Alexander Fleming accidentally …