Abstract: Drug induced gene expression provides information covering various aspects of drug discovery and development. Recent advances in accessibility of open-source drug-induced transcriptomic data along with ability of deep learning algorithms to understand hidden patterns have opened opportunity for designing drug molecules based on desired gene expression signatures. Embodiments herein provide method and system for cell specific model where gene expressions are processed via pretrained Simplified Molecular Input Line Entry System (SMILES) variational autoencoder (s-VAE) to produce new molecules. The model is trained with drug and drug induced gene expression data as input. Both pretrained s-VAE and profile variational autoencoder (p-VAE) are trained jointly. During joint training, difference between newly generated molecules and existing drug molecules is calculated as joint loss function composed of binary cross entropy loss and Kullback-Leibler divergence loss.

Abstract: Pathogens invade and infect humans. Understanding the infection mechanism is essential for determining targets for new therapeutics. Existing methods provide too many false positive results. A method and system for predicting protein-protein interaction between a host and a pathogen has been provided. The disclosure provides a pipeline for predicting HPIs, which is a combination of biological knowledge-based filters, domain-based filter and sequence-based predictions. Biologically feasible interactions are only possible when both the proteins share common localization and overlapping expression profiles. This observation was used as the first filter to remove biologically irrelevant HPIs. Proteins interact with each other through domains. Both interacting and non-interacting protein pairs provide valuable information about the probability of protein-protein interactions and hence both were used to derive statistical inferences to remove improbable HPIs.

Abstract: Pathogens invade and infect humans. Understanding the infection mechanism is essential for determining targets for new therapeutics. Existing methods provide too many false positive results. A method and system for predicting protein-protein interaction between a host and a pathogen has been provided. The disclosure provides a pipeline for predicting HPIs, which is a combination of biological knowledge-based filters, domain-based filter and sequence-based predictions. Biologically feasible interactions are only possible when both the proteins share common localization and overlapping expression profiles. This observation was used as the first filter to remove biologically irrelevant HPIs. Proteins interact with each other through domains. Both interacting and non-interacting protein pairs provide valuable information about the probability of protein-protein interactions and hence both were used to derive statistical inferences to remove improbable HPIs.