{"doi":"10.1146/annurev-pharmtox-010611-134630","title":"Novel Computational Approaches to Polypharmacology as a Means to Define Responses to Individual Drugs","abstract":"Polypharmacology, which focuses on designing therapeutics to target multiple receptors, has emerged as a new paradigm in drug discovery. Polypharmacological effects are an attribute of most, if not all, drug molecules. The efficacy and toxicity of drugs, whether designed as single- or multitarget therapeutics, result from complex interactions between pharmacodynamic, pharmacokinetic, genetic, epigenetic, and environmental factors. Ultimately, to predict a drug response phenotype, it is necessary to understand the change in information flow through cellular networks resulting from dynamic drug-target interactions and the impact that this has on the complete biological system. Although such is a future objective, we review recent progress and challenges in computational techniques that enable the prediction and analysis of in vitro and in vivo drug-response phenotypes.","journal":"Annual Review of Pharmacology and Toxicology","year":2012,"id":5299,"datarank":0.8034879412008019,"base_score":5.356586274672012,"endowment":5.356586274672012,"self_citation_contribution":0.8034879412008019,"citation_network_contribution":0.0,"self_endowment_contribution":0.8034879412008019,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":211,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":0.0436,"is_oa":false,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"2012-02-10","fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":153,"name":"Li Xie","orcid":"0000-0003-3658-2535","position":1,"is_corresponding":false},{"id":22116,"name":"Sarah L. Kinnings","orcid":null,"position":2,"is_corresponding":false},{"id":125,"name":"Philip  E. Bourne","orcid":"0000-0002-7618-7292","position":3,"is_corresponding":false},{"id":150,"name":"Lei Xie","orcid":"0000-0001-9051-2111","position":0,"is_corresponding":true}],"reference_count":141,"raw_metadata":{"citation_network_status":"fetched"},"created_at":"2026-03-01T18:20:47.508186Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}