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Munteanu, C. R.

Publications and source records attributed to Munteanu, C. R..

5 recordsLinked to original sources

A machine learning framework for interpreting phylogenetic tree patterns in interkingdom horizontal gene transfer

Horizontal gene transfer (HGT), the movement of genetic material between unrelated organisms, is widely recognized as an important driver of genome evolution in bacteria. In eukaryotes, however, the evolutionary impact of HGT remains debated. The identification of interkingdom HGT (iHGT) is especially challenging due to the lack of gold standard methods. Traditionally, iHGT identification has relied on manual inspection of phylogenetic trees, a process that is subjective, difficult to reproduce, and not scalable to large datasets. In this study, we present a computational framework that formalizes phylogenetic tree interpretation into a supervised machine-learning problem. We define five recurrent phylogenetic patterns--iHGT, NoHGT, Limited donor evidence, Multiple major clades (Multiple MC), and Patchy phylogeny--capturing clear and ambiguous evolutionary scenarios. To operationalize these patterns, we developed a feature-extraction pipeline that quantifies taxonomic composition and phylogenetic topology using seven biological descriptors derived from gene trees. These features were used to train and evaluate multiple machine-learning models, among which a Random Forest (RF) classifier achieved the best performance (AUC-ROC = 0.98; accuracy = 0.89). Model interpretability analyses revealed that topological distance to additional clades and lineage diversity are the most informative predictors, reflecting key signals used in expert-driven phylogenetic interpretation. The RF model was further validated using 1,000 simulated phylogenies and 1,438 real iHGT candidates, achieving low misclassification rates (7.8% and 10.43%, respectively). Benchmarking against AVP (Alienness vs. Predictor), a comparable tool for iHGT detection, demonstrated improved performance across all evaluation metrics, highlighting the advantages of incorporating global phylogenetic structure into the classification process. This study provides a reproducible and scalable framework for phylogenetic pattern classification that captures complex evolutionary signals while maintaining biological interpretability. Beyond improving iHGT detection, the approach offers a more nuanced representation of evolutionary scenarios by explicitly accounting for inconclusive cases, supporting more robust inference in comparative genomics. Authors summaryHorizontal gene transfer is the movement of genes between unrelated organisms rather than through normal inheritance from parent to offspring. While this process is known to play a major role in bacterial evolution, its importance in complex organisms such as fungi, plants, and animals remains debated. One reason for this uncertainty is that identifying these events often depends on manually interpreting phylogenetic trees, a process that can be subjective, difficult to reproduce, and impractical for analyzing the rapidly growing amount of genomic data. In this study, we developed a computational framework that transforms phylogenetic tree interpretation into a machine-learning problem. Instead of simply classifying genes as transferred or non-transferred, our approach recognizes several distinct evolutionary scenarios, including cases where the evidence is ambiguous or inconclusive. To achieve this, we extracted biologically meaningful features from phylogenetic trees describing evolutionary relationships and taxonomic diversity, and used them to train machine-learning models capable of recognizing recurrent phylogenetic patterns. Our framework successfully classified complex evolutionary scenarios and outperformed an existing automated method for interkingdom horizontal gene transfer detection. More broadly, this work demonstrates how expert-driven evolutionary reasoning can be translated into scalable and reproducible computational approaches. As genomic datasets continue to expand, such methods may help improve evolutionary inference and support more rigorous comparative genomics analyses.

bioinformatics↗

Viral Sentry AI (VirSentAI) - Automated Zoonotic Surveillance & Drug Repurposing Agent

Zoonotic viruses capable of jumping from animal reservoirs into human populations represent a persistent and unpredictable menace to global health. To confront this challenge, we developed Viral Sentry AI (VirSentAI), an autonomous agent designed to close the gap between viral emergence and therapeutic response. Unlike static analysis tools, VirSentAI operates as a continuous sentinel, automatically scanning public databases (e.g., NCBI) for new viral genomes and executing a three-stage agentic surveillance workflow, with distinct, specialized AI architectures for generated text, macromolecule sequences, and drug chemical data. First, the system is using gemma-2-9b, utilizing this Large Language Model to parse unstructured submission records and extract critical meta-information that provides context to the raw data. In the second stage, the system employs a novel deep-learning topology, virsentai-v2-hyena-dna-16k, a fine-tuned HyenaDNA model capable of processing complete viral genomes up to 160,000 bases. This architecture captures subtle, long-range genomic dependencies to predict human infectivity with high precision. Upon flagging a high-risk pathogen, the agent autonomously triggers a downstream therapeutic module as the stage three. It extracts NCBI viral protein sequences and utilizes a PLAPT (Protein-Ligand Affinity Prediction Transformer) model to calculate affinity interactions against the ChEMBL-curated set of approved therapeutics, instantly identifying candidates for drug repurposing. In rigorous cross-validation on a curated dataset of 31,728 complete viral genomes, the surveillance module demonstrated robust discriminatory power, achieving an AUROC of 0.95 in classifying human host potential. By integrating state-of-the-art genomic modeling with automated lead compound screening, VirSentAI offers a proactive, end-to-end solution for pandemic preparedness. The platform is freely accessible at https://muntisa.github.io/virsentai, with source code available at https://github.com/muntisa/virsentai.

bioinformatics↗

Prediction of breast cancer proteins using molecular descriptors and artificial neural networks: a focus on cancer immunotherapy proteins, metastasis driver proteins, and RNA-binding proteins

BackgroundBreast cancer (BC) is a heterogeneous disease characterized by an intricate interplay between different biological aspects such as ethnicity, genomic alterations, gene expression deregulation, hormone disruption, signaling pathway alterations and environmental determinants. Due to the complexity of BC, the prediction of proteins involved in this disease is a trending topic in drug design. MethodsThis work is proposing accurate prediction classifier for BC proteins using six sets of protein sequence descriptors and 13 machine learning methods. After using a univariate feature selection for the mix of five descriptor families, the best classifier was obtained using multilayer perceptron method (artificial neural network) and 300 features. ResultsThe performance of the model is demonstrated by the area under the receiver operating characteristics (AUROC) of 0.980 {+/-} 0.0037 and accuracy of 0.936 {+/-} 0.0056 (3-fold cross-validation). Regarding the prediction of 4504 cancer-associated proteins using this model, the best ranked cancer immunotherapy proteins related to BC were RPS27, SUPT4H1, CLPSL2, POLR2K, RPL38, AKT3, CDK3, RPS20, RASL11A and UBTD1; the best ranked metastasis driver proteins related to BC were S100A9, DDA1, TXN, PRNP, RPS27, S100A14, S100A7, MAPK1, AGR3 and NDUFA13; and the best ranked RNA-binding proteins related to BC were S100A9, TXN, RPS27L, RPS27, RPS27A, RPL38, MRPL54, PPAN, RPS20 and CSRP1. ConclusionsThis powerful model predicts several BC-related proteins which should be deeply studied to find new biomarkers and better therapeutic targets. The script and the results are available as a free repository at https://github.com/muntisa/neural-networks-for-breast-cancer-proteins.

bioinformatics↗

Prediction of druggable proteins using machine learning and functional enrichment analysis: a focus on cancer-related proteins and RNA-binding proteins

BackgroundDruggable proteins are a trending topic in drug design. The druggable proteome can be defined as the percentage of proteins that have the capacity to bind an antibody or small molecule with adequate chemical properties and affinity. The screening and in silico modeling are critical activities for the reduction of experimental costs.\n\nMethodsThe current work proposes a unique prediction model for druggable proteins using amino acid composition descriptors of protein sequences and 13 machine learning linear and non-linear classifiers. After feature selection, the best classifier was obtained using the support vector machine method and 200 tri-amino acid composition descriptors.\n\nResultsThe high performance of the model is determined by an area under the receiver operating characteristics (AUROC) of 0.975 {+/-} 0.003 and accuracy of 0.929 {+/-} 0.006 (3-fold cross-validation). Regarding the prediction of cancer-associated proteins using this model, the best ranked druggable predicted proteins in the breast cancer protein set were CDK4, AP1S1, POLE, HMMR, RPL5, PALB2, TIMP1, RPL22, NFKB1 and TOP2A; in the cancer-driving protein set were TLL2, FAM47C, SAGE1, HTR1E, MACC1, ZFR2, VMA21, DUSP9, CTNNA3 and GABRG1; and in the RNA-binding protein set were PLA2G1B, CPEB2, NOL6, LRRC47, CTTN, CORO1A, SCAF11, KCTD12, DDX43 and TMPO.\n\nConclusionsThis powerful model predicts several druggable proteins which should be deeply studied to find better therapeutic targets and thus improve clinical trials. The scripts are freely available at https://github.com/muntisa/machine-learning-for-druggable-proteins.

bioinformatics↗

OncoOmics approaches to reveal essential genes in breast cancer: a panoramic view from pathogenesis to precision medicine

Breast cancer (BC) is a heterogeneous disease where each OncoOmics approach needs to be fully understood as a part of a complex network. Therefore, the main objective of this study was to analyze genetic alterations, signaling pathways, protein-protein interaction networks, protein expression, dependency maps and enrichment maps in 230 previously prioritized genes by the Consensus Strategy, the Pan-Cancer Atlas, the Pharmacogenomics Knowledgebase and the Cancer Genome Interpreter, in order to reveal essential genes to accelerate the development of precision medicine in BC. The OncoOmics essential genes were rationally filtered to 144, 48 (33%) of which were hallmarks of cancer and 20 (14%) were significant in at least three OncoOmics approaches: RAC1, AKT1 CCND1, PIK3CA, ERBB2, CDH1, MAPK14, TP53, MAPK1, SRC, RAC3, PLCG1, GRB2, MED1, TOP2A, GATA3, BCL2, CTNNB1, EGFR and CDK2. According to the Open Targets Platform, there are 111 drugs that are currently being analyzed in 3151 clinical trials in 39 genes. Lastly, there are more than 800 clinical annotations associated with 94 genes in BC pharmacogenomics.

genomics↗