Article

Using Domain-Knowledge to Assist Lead Discovery in Early-Stage Drug Design

2021-07-09

Abstract excerpt

We are interested in generating new small molecules which could act as inhibitors of a biological target, when there is limited prior information on target-specific inhibitors. This form of drug-design is assuming increasing importance with the advent of new disease threats for which known chemicals only provide limited information about target inhibition. In this paper, we propose the combined use of deep neural...

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Literature Corpus work: 4b41212b-093d-53e9-abde-065dbe19a967
DOI: 10.1101/2021.07.09.451519

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