Article

Protein Domain-Based Prediction of Compound–Target Interactions and Experimental Validation on LIM Kinases

2021-06-14

Abstract excerpt

Predictive approaches such as virtual screening have been used in drug discovery with the objective of reducing developmental time and costs. Current machine learning and network- based approaches have issues related to generalization, usability, or model interpretability, especially due to the complexity of target proteins’ structure/function, and bias in system training datasets. Here, we propose a new computati...

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Literature Corpus work: 5013b5e4-95df-5d90-b720-2d1b9368f86e
DOI: 10.1101/2021.06.14.448307

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