ArticleNature biotechnology2014
A community computational challenge to predict the activity of pairs of compounds.
Article in Nature biotechnology, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 173 papers.
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Who cites it
173 citing papers in PubMed.
- Prediction of overall survival for patients with metastatic castration-resistant prostate cancer: development of a prognostic model through a crowdsourced challenge with open clinical trial data.The Lancet. Oncology · 2017Trial
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- Beyond Structural Representations: A Semantic-Relational Graph Neural Network for Polypharmacy Side Effect Prediction.Interdisciplinary sciences, computational life sciences · 2026Article
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- Multi agent large language models for biomedical hypothesis generation in drug combination discovery.iScience · 2025Article
- A human metabolic map of pharmacological perturbations reveals drug modes of action.Nature biotechnology · 2025Article
- DeepTarget predicts anti-cancer mechanisms of action of small molecules by integrating drug and genetic screens.NPJ precision oncology · 2025Article
- Microenvironmental signals combine to induce non-additive molecular and phenotypic responses in mammary epithelial cells.iScience · 2025Article
- Single-cell multi-omics reveals that FABP1 + renal cell carcinoma drive tumor angiogenesis through the PLG-PLAT axis under fatty acid reprogramming.Molecular cancer · 2025Article
- HLN-DDI: hierarchical molecular representation learning with co-attention mechanism for drug-drug interaction prediction.BMC bioinformatics · 2025Article
- AI-driven discovery of synergistic drug combinations against pancreatic cancer.Nature communications · 2025Article
- Computational frameworks transform antagonism to synergy in optimizing combination therapies.NPJ digital medicine · 2025Review
- HPRNA: Predicting synergistic drug combinations for angina pectoris based on human pathway relationship network algorithm.PloS one · 2025Article
- Simulate Scientific Reasoning with Multiple Large Language Models: An Application to Alzheimer's Disease Combinatorial Therapy.medRxiv : the preprint server for health sciences · 2024Article
- iDOMO: identification of drug combinations via multi-set operations for treating diseases.Briefings in bioinformatics · 2024Article
- DRGATAN: Directed relation graph attention aware network for asymmetric drug-drug interaction prediction.iScience · 2024Article
- A synthetic lethal dependency on casein kinase 2 in response to replication-perturbing therapeutics in RB1-deficient cancer cells.Science advances · 2024Article
- MPHGCL-DDI: Meta-Path-Based Heterogeneous Graph Contrastive Learning for Drug-Drug Interaction Prediction.Molecules (Basel, Switzerland) · 2024Article
- Antimalarial Drug Combination Predictions Using the Machine Learning Synergy Predictor (MLSyPred©) tool.Acta parasitologica · 2024Article
- Patient derived tumoroids of high grade neuroendocrine neoplasms for more personalized therapies.NPJ precision oncology · 2024Article
113 more citing papers are in PubMed but not listed here.
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Authors and funding
26 authors.
Funding
Abstract
Recent therapeutic successes have renewed interest in drug combinations, but experimental screening approaches are costly and often identify only small numbers of synergistic combinations. The DREAM consortium launched an open challenge to foster the development of in silico methods to computationally rank 91 compound pairs, from the most synergistic to the most antagonistic, based on gene-expression profiles of human B cells treated with individual compounds at multiple time points and concentrations. Using scoring metrics based on experimental dose-response curves, we assessed 32 methods (31 community-generated approaches and SynGen), four of which performed significantly better than random guessing. We highlight similarities between the methods. Although the accuracy of predictions was not optimal, we find that computational prediction of compound-pair activity is possible, and that community challenges can be useful to advance the field of in silico compound-synergy prediction.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.