Integrating genomic and molecular data to predict antimicrobial minimum inhibitory concentration in Klebsiella pneumoniae

Abstract

Minimum inhibitory concentration (MIC) denotes the in vitro benchmark indicating the quantity of antibiotic required to inhibit proliferation of specific bacterial strains. Determining MIC values corresponding to the infecting bacterial strain is paramount for tailoring appropriate antibiotic therapy. In the interim between specimen collection and laboratory-derived MIC outcomes, clinicians frequently resort to empirical therapy informed by retrospective analyses. Here introduces two deep learning approaches, a Convolutional Neural Network (CNN)-based model and an Enformer-based model, integrating genomic data of Klebsiella Pneumoniae and molecular structural data of 20 antibiotics to anticipate the MIC value of the bacterium for each antibiotic under consideration. These models demonstrate enhanced raw accuracy over the existing state-of-the-art model, which rely exclusively on genomic data. The CNN-based model achieves a notable 20% increase in raw accuracy while further mirroring the 1-tier accuracy of the state-of-the-art model. Although the Enformer-based model does not quite reach the performance levels of the CNN-based model, it offers an advantage by eliminating the need for arbitrary data processing steps. This streamlining of the data processing pipeline facilitates fast updates and improves the model interpretability. It is expected that these deep learning paradigms can significantly inform and bolster clinician decision-making during the empirical treatment phase.