4 ms·
totally random thought: do you have pictures of molecules by any chance - can be a good source to train some CNN on it and existing drugs. Disclaimer: I have z
by mkagenius 9y ago
totally random thought: do you have pictures of molecules by any chance - can be a good source to train some CNN on it and existing drugs.
Disclaimer: I have zero experience in drug discovery.
- theophrastus 9y agoI don't know how it can help train whatever 'CNN' stands for (i'm guessing not the news network, but something Neural Network?) Yet there are vast sources of various ("pictures") representations of small molecules all over the internet; from line-drawings, 2d stick models[1] to those providing rotation to space filling models[2]. As a very personal aside, neural networks are just a means of doing curve fitting without necessary learning anything. [1] https://en.wikipedia.org/wiki/Morphine https://en.wikipedia.org/wiki/Morphine [2] https://www.cancerquest.org/patients/drug-reference/morphine https://www.cancerquest.org/patients/drug-reference/morphine
- AmericanSeal 9y agoIt stands for convolutional neural network, which is a NN architecture that works well on image data. They use CNN's in object detection and other computer vision related tasks.
- lilleswing 9y agoChemception/Chemnet do just that with OK performance. https://arxiv.org/abs/1706.06689 https://arxiv.org/abs/1706.06689 https://arxiv.org/abs/1712.02734 https://arxiv.org/abs/1712.02734
- mostafab 9y agoit has been done here: https://arxiv.org/abs/1712.02734 https://arxiv.org/abs/1712.02734