3 ms·
This paper doesn't use Machine Learning at all, as far as I understand it.
by bayesian_horse 5y ago
This paper doesn't use Machine Learning at all, as far as I understand it.
- fnands 5y agoIt does. They used Chemistry42 which is Insilico's ML based molecule generation platform(?)[0]. Sure, they didn't train any models specifically for this case, but they used a protein structure predicted by one ML algorithm, then used another set of ML algorithms to find and rank molecules that might match the protein, and then tested the most likely ones in reality. [0] https://arxiv.org/pdf/2101.09050.pdf https://arxiv.org/pdf/2101.09050.pdf