Decisions in drug development are made on the basis of determinations of cause and effect from experimental observations that span drug development phases. Despite advances in our powers of observation, the ability to determine compound mechanisms from large-scale multi-omic technologies continues to be a major bottleneck. This can only be overcome by utilizing computational learning methods that identify from compound data the circuits and connections between drug-affected molecular constituents and physiological observables. The marriage of multi-omics technologies with network inference approaches will provide missing insights needed to improve drug development success rates.
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http://dx.doi.org/10.1016/j.drudis.2007.10.001 | DOI Listing |
Brief Bioinform
November 2024
Department of Dermatology, Daping Hospital, Army Medical University, No. 10, Changjiang Branch Road, Yuzhong District, Chongqing 400042, China.
Psoriasis affects a significant proportion of the worldwide population and causes an extremely heavy psychological and physical burden. The existing therapeutic schemes have many deficiencies such as limited efficacies and various side effects. Therefore, novel ways of treating psoriasis are urgently needed.
View Article and Find Full Text PDFJ Med Internet Res
January 2025
Department of Industrial and Systems Engineering, The University of Florida, GAINESVILLE, FL, United States.
Background: The implementation of large language models (LLMs), such as BART (Bidirectional and Auto-Regressive Transformers) and GPT-4, has revolutionized the extraction of insights from unstructured text. These advancements have expanded into health care, allowing analysis of social media for public health insights. However, the detection of drug discontinuation events (DDEs) remains underexplored.
View Article and Find Full Text PDFJ Med Chem
January 2025
Medicinal Chemistry and Bioinformatics Center, Shanghai Jiao Tong University School of Medicine, Shanghai 200025, China.
Retrosynthesis is a strategy to analyze the synthetic routes for target molecules in medicinal chemistry. However, traditional retrosynthesis predictions performed by chemists and rule-based expert systems struggle to adapt to the vast chemical space of real-world scenarios. Artificial intelligence (AI) has revolutionized retrosynthesis prediction in recent decades, significantly increasing the accuracy and diversity of predictions for target compounds.
View Article and Find Full Text PDFJAMA Netw Open
January 2025
Clinical Product Development, Waymark, San Francisco, California.
Importance: Rising prescription medication costs under Medicaid have led to increased procedural prescription denials by health plans. The effect of unresolved denials on chronic condition exacerbation and subsequent acute care utilization remains unclear.
Objective: To examine whether procedural prescription denials are associated with increased net spending through downstream acute care utilization among Medicaid patients not obtaining prescribed medication following a denial.
Spine Deform
January 2025
Department of Orthopaedic Surgery, Columbia University Irving Medical Center, NewYork-Presbyterian Och Spine Hospital, New York, NY, 10032, USA.
Background: Alpine skiing requires flexibility, endurance, strength and rotational ability, which may be lost after long fusions to the pelvis for adult spinal deformity (ASD). ASD patients may worry about their ability to return to skiing (RTS) postoperatively. There is currently insufficient data for spine surgeons to adequately address questions about when, or if, their patients might RTS.
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