Lab Publications (newest first)
The following publications were either written by members of the lab, or were contributed to significantly by a lab member as a coauthor.
The Alzheimer’s Knowledge Base – A knowledge graph for therapeutic discovery in Alzheimer’s Disease research
Journal of Medical Internet Research. (in press)..
Discovering Venom-Derived Drug Candidates using Differential Gene Expression
Toxins. 2023;15(7):451.. (DOI: 10.3390/toxins15070451)
Exploring genetic influences on adverse outcome pathways using heuristic simulation and graph data science
Computational Toxicology. 2023;25:100261. (DOI: 10.1016/j.comtox.2023.100261)
Omics Methods in Toxins Research - A toolkit to Drive the Future of Scientific Inquiry
Toxins. 2022;14(11):761. (DOI: 10.3390/toxins14110761)
Knowledge-guided deep learning models of drug toxicity improve interpretation
Patterns. 2022 Aug 24;3(9):100565. (DOI: 10.1016/j.patter.2022.100565)
Automating predictive toxicology using ComptoxAI
Chem. Res. Toxicol. 2022;35(8):1370-1382. (DOI: 10.1021/acs.chemrestox.2c00074)
PMLB v1.0: An open source dataset collection for benchmarking machine learning methods
Bioinformatics. 2022 Feb 1;38(3):878-880. (DOI: 10.1093/bioinformatics/btab727)
Improving QSAR Modeling for Predictive Toxicology using Publicly Aggregated Semantic Graph Data and Graph Neural Networks
Pac Symp Biocomput. 2022;27:187-198. (DOI: 10.1142/9789811250477_0018)
The promise of automated machine learning for the genetic analysis of complex traits
Human Genetics. 2022;141:1529-1544. (DOI: 10.1007/s00439-021-02393-x)
TPOT-NN: Augmenting tree-based automated machine learning with neural network estimators
Genetic Programming and Evolvable Machines. 2021;22:207-227. (DOI: 10.1007/s10710-021-09401-z)
Ten Simple Rules for Writing a Paper About Scientific Software
PLoS Comput Biol. 2020 Nov 12;16(11):e1008390. (DOI: 10.1371/journal.pcbi.1008390)
Embedding covariate adjustments in tree-based automated machine learning for biomedical big data analysis
BMC Bioinformatics. 2020;21:430. (DOI: 10.1186/s12859-020-03755-4)
Informatics and Computational Methods in Natural Product Drug Discovery: A Review and Perspectives
Front. Genet., 30 April 2019. (DOI: 10.3389/fgene.2019.00368)
A Decade of Translational Bioinformatics: A Retrospective Analysis of "Year-in-Review" Presentations
AMIA 2019 Informatics Summit.
Using a Novel Ontology to Inform the Discovery of Therapeutic Peptides from Animal Venoms
AMIA Summits on Translational Science Proceedings, 2019.
Systems Biology Approaches for Identifying Adverse Drug Reactions and Elucidating their Underlying Biological Mechanisms
WIREs Systems Biology and Medicine, 8(2), 104-122 (2016). (DOI: 10.1002/wsbm.1323)
VenomKB, A new knowledge base for facilitating the validation of putative venom therapies
Scientific Data, 2, 150065 (2015). (DOI: 10.1038/sdata.2015.65)
Adapting Simultaneous Analysis Phylogenomic Techniques to Study Complex Disease Gene Relationships
Journal of Biomedical Informatics, 54, 10-38 (2014). (DOI: 10.1016/j.jbi.2015.01.002)