Post AGY08aeTUWLmN73Xpg by christian_zerfass@fediscience.org
 (DIR) More posts by christian_zerfass@fediscience.org
 (DIR) Post #AGY08aeTUWLmN73Xpg by christian_zerfass@fediscience.org
       2022-01-19T19:04:27Z
       
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       "Garbage in, garbage out" ? - a nice warning by Derek Lowe in ChemistryWorld that #AI / #MachineLearning in protein science depend on the quality of the input datahttps://www.chemistryworld.com/opinion/the-law-of-conservation-of-data/4014927.articleLowe points to the successes with AI to predict protein structures, based on input data from structure databases, i.e. by pattern matching. But he warns that for identifying drug targets, such databases are not yet there - and our understanding of 'first principles' of binding energies is too little to model.
       
 (DIR) Post #AGY08bC9TJHy3YoRKC by christian_zerfass@fediscience.org
       2022-01-25T15:07:29Z
       
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       And here comes another great warning by Derek Lowe to get excited about computational protein structure prediction (for drug development) where it is due, but not where it is exaggeratedhttps://www.science.org/content/blog-post/alphafold-excitement