Article

Automated design and optimization of multitarget schizophrenia drug candidates by deep learning

2020-03-20

Abstract excerpt

Complex neuropsychiatric diseases such as schizophrenia require drugs that can target multiple G protein-coupled receptors (GPCRs) to modulate complex neuropsychiatric functions. Here, we report an automated system comprising a deep recurrent neural network (RNN) and a multitask deep neural network (MTDNN) to design and optimize multitargeted antipsychotic drugs. The system successfully generates novel molecule st...

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Literature Corpus work: 0b64bba4-ecbd-55af-b249-4f9fa2fd232a
DOI: 10.1101/2020.03.19.999615

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