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Fingerprint-embedding framework can help find novel drug candidates

Researchers have developed a new computer framework that holds promise in the work to discover new drugs. Their framework uses an artificial intelligence method called convolutional neural network to provide global information about potential novel drug candidates. ....

Feng Yang , Jian Zhang , Xiaolei Zhang , Juan Liu , Zhihui Yang , Xuekai Zhu , Emily Henderson , Wuhan University , China National Key Research , School Of Computer Science , Development Program , Wuhan University School Of Computer Science , Big Data Mining , Discovery Industry Focus , Computer Science , Wuhan University School , Amino Acid , Artificial Intelligence , Binding Affinity , Drug Discovery ,