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Nevin Manimala Statistics

Critical Artifacts Improve Reproducibility of Protein-Ligand Binding Affinity Prediction Models on CASF-2016

J Chem Inf Model. 2026 Jun 24. doi: 10.1021/acs.jcim.6c01192. Online ahead of print.

ABSTRACT

Protein-ligand binding affinity prediction (PLBAP) models are routinely benchmarked on the CASF-2016 data set with Pearson correlation coefficient (PCC) as a common measure of scoring power. Published PCC values are frequently reused as baselines for cross-study comparisons. This practice implicitly assumes that published pipelines remain runnable and that reported metrics can be independently verified. To examine this assumption, we conducted a systematic reproducibility audit of 50 PLBAP models published between 2021 and 2024 that reported CASF-2016 scoring power. For each model, we attempted to reproduce the authors’ CASF-2016 inference using only publicly available code, documentation, and pretrained weights. To scaffold this audit and to offer a reusable resource for the community, we introduce a minimal five-item reproducibility checklist for PLBAP pipelines, organized around the artifacts a researcher requires to independently rerun inference: (1) a license; (2) preprocessing and featurization, (3) training, and (4) inference code; and (5) pretrained model weights. We find that only 17/50 pipelines satisfied all checklist items to be consistently runnable. Of those 17 runnable models, only nine were statistically reproducible (53% of models). We propose the checklist as a lightweight community standard for future PLBAP releases, document common gaps, and highlight practices that most reliably enabled independent reproduction.

PMID:42341287 | DOI:10.1021/acs.jcim.6c01192

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Assessing the Feasibility and Acceptability of Implementing a Preclinic Vital Signs Assessment in Primary Care: Cross-Sectional Pilot Study

JMIR Med Inform. 2026 Jun 24;14:e72655. doi: 10.2196/72655.

ABSTRACT

BACKGROUND: Vital signs are objective measurements of the body’s most basic, essential functions, indicating overall health status. However, such assessments are time-consuming and so are not always prioritized. Measuring vital signs before doctor visits may, therefore, be an effective and efficient strategy.

OBJECTIVE: We piloted a preclinic vital signs assessment (PCVSA) procedure within a primary care center to determine its feasibility and acceptability.

METHODS: A mixed methods cross-sectional design was used for piloting the PCVSA procedure. Study participants included adult patients and practice staff. Patients had vital signs assessed by a primary care assistant before general practitioner (GP) visits. Collected data concerned participants’ study engagement, the timings of PCVSA/GP visits, and surveys/interviews investigating participants’ experiences.

A total of 16 patients and 4 staff participated. The mean duration for PCVSAs was 2 minutes and 23 seconds (SD 38.8 s), and the mean duration for GP visits was 9 minutes and 21 seconds (SD 252.4 s). Patients said the PCVSA was a “Positive experience” (n=14, 88%), “Helpful” (n=13, 81%), “Valuable” (n=7, 44%), and “Interesting” (n=6, 38%). The GP said the PCVSAs were either “Helpful” (8/15, 53%) or “Extremely Helpful” (7/15, 47%) in each of their consultations and that the PCVSAs improved engagement with patients (12/15, 80%), allowed them to spend more time gaining an understanding of the conditions of patients (14/15, 93%), and enhanced productivity during consultations (11/15, 73%). The GP strongly agreed that collecting PCVSA data before appointments would benefit patients over time. Qualitative interviews with practice staff yielded three themes: (1) improved patient engagement and efficient consultation, (2) time-saving potential, and (3) practicing in general practice and associated challenges.

CONCLUSIONS: The PCVSA pilot showed good feasibility and acceptability as indicated by high participant engagement, short PCVSA and GP visit times (albeit GP visit times did not measure non-patient-facing clinical activity), and positive feedback from patients and staff. Introducing PCVSAs in health care settings may have potential in terms of improving the standard and efficiency of care.

PMID:42341282 | DOI:10.2196/72655

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The Effects of Financial Structures to Increase Social Drivers of Health Investments in Medicaid: A Simulation Approach

Am J Public Health. 2026 Jul;116(S3):S210-S217. doi: 10.2105/AJPH.2026.308479.

ABSTRACT

Objectives. To explore and quantify the potential effects of financial innovations aimed at increasing investments in social drivers of health (SDH). Methods. We built a simulation model in which individuals in a health care market are served by multiple Medicaid managed care organizations (MCOs). In our model, each MCO can spend money to make SDH investments that improve patient health and reduce costs to the MCO, but patients can switch between different MCOs. Results. While SDH investments improve patient health and increase the profitability of the investing MCO, the benefits also accrue to noninvesting MCOs because of the churn of patients between MCOs, resulting in a “wrong-pocket problem” where investing MCOs bear the costs but share the benefits with competitors, resulting in worse financial returns compared with making no investments and ultimately disincentivizing SDH investments. Outcomes can be improved when all MCOs participate in a financial structure-an SDH bond-which raises money from investors and distributes the proceeds to MCOs to make SDH investments. Conclusions. An SDH bond can improve patient health and increase profits for MCOs because of cost-savings. (Am J Public Health. 2026;116(S3): S210-S217. https://doi.org/10.2105/AJPH.2026.308479).

PMID:42341273 | DOI:10.2105/AJPH.2026.308479

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Strategies Used by Community-Based Organizations to Expand Access to Seasonal Vaccinations for Native American, Asian American, Black, and Latinx Populations

Am J Public Health. 2026 Jul;116(S3):S171-S180. doi: 10.2105/AJPH.2026.308580.

ABSTRACT

Objectives. To analyze whether and how the Aging and Disability Vaccination Collaborative (ADVC) counteracted seasonal vaccination disparities for Asian American, Black, Latinx, and Native American populations. Methods. We performed a cross-sectional analysis of 6032 vaccination events organized by 168 community-based organizations (CBOs) through the ADVC (2023-2025). We calculated representation ratios comparing event demographics to county demographics to identify events that counteracted disparities by overrepresenting minoritized populations. Qualitative interviews provided context. Results. Overall, 69% of events counteracted disparities for at least 1 population: 27.4% for Native Americans, 19.0% for Asian Americans, 33.7% for Black populations, and 20.8% for Latinx populations. Gift cards were associated with overrepresenting Black (odds ratio [OR] = 2.54; P < .001) and Latinx populations (OR = 2.01; P = .048). Intentional targeting was associated with overrepresentation for Native American (OR = 2.49; P = .047) and Asian American populations (OR = 6.53; P < .001). Interviews emphasized the importance of trust-based partnerships with culturally connected organizations. Conclusions. CBO-centered vaccination approaches counteracted racial/ethnic disparities through partnerships with cultural organizations and social services. Public Health Implications. ADVC provides a template for scaling up CBO-led partnerships with public health and health care that could apply to state or local levels. (Am J Public Health. 2026;116(S3): S171-S180. https://doi.org/10.2105/AJPH.2026.308580).

PMID:42341264 | DOI:10.2105/AJPH.2026.308580

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Longitudinal Treatment Outcomes in Patients With Anaplastic Lymphoma Kinase-Rearranged Non-Small Cell Lung Cancer: Results From a Multinational Registry-Based Study in a Predominantly Western Population

JCO Glob Oncol. 2026 Jun;12(6):e2500574. doi: 10.1200/GO-25-00574. Epub 2026 Jun 24.

ABSTRACT

PURPOSE: There are now six anaplastic lymphoma kinase (ALK) tyrosine kinase inhibitors (TKIs) approved for first-line ALK-positive non-small cell lung cancer (NSCLC) therapy, improving survival and quality of life. However, real-world data on treatment outcomes, predictors of discontinuation, and sequencing strategies remain scarce, while direct comparisons between second- and third-generation TKIs are limited.

METHODS: This global longitudinal observational study evaluated patients with ALK-positive NSCLC, with data collected via online surveys from September 2022 to April 2025. Treatment patterns, outcomes, and factors associated with time to discontinuation (TTD) were assessed using descriptive statistics and univariable regression.

RESULTS: Overall, 1,111 patients from 71 countries were included (64% female; median age at diagnosis 53 years; 28% with a smoking history). Crizotinib was predominantly the first TKI administered, although prescribing patterns shifted over time (crizotinib before 2016, alectinib between 2017 and 2022, and lorlatinib thereafter). After the follow-up period (median of 20.7 months), 60% of patients remained on their initial TKI, with TTD varying significantly across agents. Factors associated with prolonged TTDs included radiotherapy, prior chemotherapy, delayed therapy initiation, and treatment in India (crizotinib) and retirement, prior chemotherapy, and treatment in the United Kingdom (alectinib). Gastroesophageal reflux disease, thyroid disease, TP53 mutations, and ALK V3a/b fusions were associated with a short TTD. Globally, alectinib to lorlatinib was the most common treatment sequence. Discontinuations because of toxicity were the highest with crizotinib and ceritinib and the lowest with lorlatinib and alectinib.

CONCLUSION: This multinational registry-based analysis highlights evolving global treatment patterns, supports newer TKIs’ effectiveness, and identifies clinical and molecular factors associated with treatment duration.

PMID:42341251 | DOI:10.1200/GO-25-00574

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Treatment of ALK+ Non-Small Cell Lung Cancer in the Brazilian Public and Private Health Care Systems: A Tale of Inequalities (LACOG/GBOT 1918)

JCO Glob Oncol. 2026 Jun;12(6):e2600042. doi: 10.1200/GO-26-00042. Epub 2026 Jun 24.

ABSTRACT

PURPOSE: ALK rearrangements occur in 5.4% of Brazilian patients with non-small cell lung cancer (NSCLC). Data on treatment patterns, access to ALK inhibitors, and survival outcomes are scarce.

MATERIALS AND METHODS: LACOG/GBOT 1918 is a retrospective, observational study that included patients diagnosed with ALK-positive NSCLC between January 2015 and December 2020 in 12 Brazilian public and private centers. Data were extracted from patient records, including clinic-epidemiologic features, diagnosis, ALK testing methods, treatment patterns, and outcomes. Data were analyzed using descriptive statistical methods.

RESULTS: A total of 101 patients were enrolled. The median age was 55 years (range, 18-86), and 55.4% were female. Immunohistochemistry was the most frequently used method for ALK testing. The median time from the first symptom to diagnosis was 2 months, from diagnosis to ALK testing 1.7 months, and from diagnosis to treatment initiation 1.7 months. Among patients receiving first-line treatment, only 47.9% received ALK inhibitors (53.9% private v 22.2% public), with crizotinib being the most used. For second-line treatment, 66.0% of patients received ALK inhibitors, with alectinib being the most used (50%). Most treated patients had access to ALK inhibitors in some line of treatment (83.3% private v 72.2% public); however, in the public setting, targeted treatment was restricted to first-generation and second-generation ALK inhibitors. The 3-year overall survival (OS) rate was 82.6% (95% CI, 72.6 to 89.2), with a lower 3-year OS in the public setting (61.4% public v 87.2% private; P = .0279).

CONCLUSION: Access to targeted ALK therapy is limited in the public health care system, reflecting poor clinical outcomes. Public health measures are necessary to minimize the differences between these two systems.

PMID:42341249 | DOI:10.1200/GO-26-00042

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Leveraging Social Media for Oncology Education and Practice: Perspective From Low- and Middle-Income Countries

JCO Glob Oncol. 2026 Jun;12(6):e2500361. doi: 10.1200/GO-25-00361. Epub 2026 Jun 24.

ABSTRACT

PURPOSE: In low- and middle-income countries (LMICs), access to traditional oncology education through conferences, journals, and in-person mentorship is often restricted. Social media has emerged as a potential tool to bridge this gap; however, its educational and clinical influence on oncology professionals remains underexplored.

METHODS: We conducted a cross-sectional, anonymized, web-based survey of 202 oncology professionals from 13 countries. A 30-item questionnaire was used for the survey. Data were analyzed using descriptive statistics and chi-square tests.

RESULTS: Among the respondents, 93% practiced in India, with 61% identifying Twitter (X) as their primary oncology information source. Daily engagement was reported by 53% of the respondents. The most valued benefits were early access to emerging research (30%) and trial updates (29%). Social media discussions atleast moderately influenced clinical decision making in 75% of respondents, with 29% reporting a substantial impact, which was a subjective assessment of the participants. Virtual tumor boards engaged 58% of the participants and prompted practice changes in 21%. Sixty-eight percent credited social media, with expanding their professional networks, and 25% initiated research collaborations through these platforms. Structured digital literacy training and tools, such as automated fact-checking and professional credential verification, were supported by over two thirds of the participants.

CONCLUSION: Social media has become an essential educational and collaborative platform for oncology professionals, particularly in LMICs. By enabling timely access to research and supporting peer learning, it complements the traditional modes of oncology education. The formal integration of digital literacy training and content-verification mechanisms may enhance its safe and equitable use.

PMID:42341248 | DOI:10.1200/GO-25-00361

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Real-World Outcomes and Clinicopathologic Features of Human Epidermal Growth Factor Receptor 2-Low Breast Cancer in a Mexican Cohort

JCO Glob Oncol. 2026 Jun;12(6):e2500148. doi: 10.1200/GO-25-00148. Epub 2026 Jun 24.

ABSTRACT

PURPOSE: The emergence of targeted therapy for patients with human epidermal growth factor receptor 2 (HER2)-low tumors has transformed treatment paradigms, increasing the relevance of assessing this biomarker. Approximately 60% of patients with breast cancer have HER2-low tumors. This study aims to describe the clinicopathologic characteristics and prognosis of patients with HER2-low.

METHODS: We conducted a multicenter, retrospective cohort study including patients with breast cancer previously classified as HER2-negative between January 2018 and December 2022. Tumors were reclassified as HER2-0 (immunohistochemistry [IHC] score 0) or HER2-low (IHC score 1+ or 2+ with negative in situ hybridization). Survival outcomes were analyzed using the Kaplan-Meier method with log-rank tests for group comparisons. Univariable and multivariable Cox proportional hazards models were constructed to assess independent prognostic factors. Statistical analyses were performed using STATA version 19.5, and two-sided P values <.05 were considered statistically significant.

RESULTS: A total of 704 patients were included with a median follow-up of 63.1 months. No significant differences in event-free survival (EFS) were observed between HER2-0 and HER2-low patients (P = .139). Overall survival (OS) favored HER2-low over HER2-0 patients (P = .050). HER2-low and estrogen receptor had a marked prognostic impact in EFS (P = .002) and OS (P < .0001).

CONCLUSION: HER2-low was associated with a modest difference in OS compared with HER2-0 tumors; the borderline statistical significance of this finding should be interpreted cautiously and may not reflect a clinically meaningful effect. Further prospective studies are warranted to validate this observation and explore the potential predictive value of HER2-low status for response to novel directed agents.

PMID:42341245 | DOI:10.1200/GO-25-00148

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Genitopelvic pain in racially/ethnically, sexually, and gender/sex minoritized samples in Canada and the United States: a scoping review

Sex Med Rev. 2026 Apr 2;14(2):qeag038. doi: 10.1093/sxmrev/qeag038.

ABSTRACT

INTRODUCTION: Very little research exists on genitopelvic pain in racially/ethnically, sexually, and gender/sex minoritized samples despite its high prevalence among these groups. Existing frameworks of genitopelvic pain are based largely on White, heterosexual, cisgender women samples; applying these frameworks to minoritized samples may be prone to inaccuracies, as they do not account for minority stress and strength, social safety, and broader social determinants of health that structure exposure to pain, access to care, and health outcomes among marginalized populations.

OBJECTIVE: The main purpose of this scoping review was to synthesize findings of genitopelvic pain research published on racially/ethnically, sexually, and gender/sex minoritized samples in Canada and the United States.

METHODS: After removal of duplicates, the abstracts of 1330 articles were independently screened for eligibility for full-text review, of which 974 were excluded. Of the remaining 356, 59 studies were included for data extraction and synthesis. Results were organized according to the underrepresented sample of interest (racially/ethnically, sexually, or gender/sex minoritized) and subcategorized according to study aims focusing on prevalence, pain characteristics and experiences, minority stressors and strengths (eg, stigma, coping, resilience), social safety (eg, relational and healthcare contexts), and social determinants of health.

RESULTS: Results indicated that genitopelvic pain is prevalent, there are similarities and differences in pain characteristics and experiences, and variables related to minority stress and strength, social safety, and social determinants of health-when examined-were associated with pain prevalence, severity, coping, and care trajectories in racially/ethnically, sexually, and gender/sex minoritized samples.

CONCLUSION: Genitopelvic pain is common in racially/ethnically, sexually, and gender/sex minoritized individuals and is meaningfully shaped by minority stress processes, minority strength adaptations, social safety, and social determinants of health, underscoring the need for theory-informed and equity-oriented pain frameworks.

PMID:42341242 | DOI:10.1093/sxmrev/qeag038

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Hospital and surgeon volume versus outcomes after colorectal cancer surgery: umbrella review and meta-analysis

BJS Open. 2026 May 12;10(3):zrag074. doi: 10.1093/bjsopen/zrag074.

ABSTRACT

BACKGROUND: An inverse relationship between surgical volume and outcomes has been suggested, with higher-volume hospitals and surgeons achieving better results, prompting debate over the centralization of surgical services. However, minimum volume thresholds are unclear, and volume is a poor proxy for quality. Despite the significant global burden of colorectal cancer, the benefits of high-volume care remain uncertain. This umbrella review synthesized the evidence on volume-outcome associations in colorectal surgery.

METHODS: An umbrella review (PRISMA 2020) was conducted to evaluate systematic reviews and meta-analyses of the hospital/surgeon volume-outcome relationship in colorectal cancer. The Cochrane Library, PubMed, Embase, and MEDLINE were searched to 1 October 2025. Volume definitions and outcomes were extracted and meta-analysed by subgroup. A MeaSurement Tool to Assess Systematic Reviews 2 and Risk of Bias in Systematic Reviews were used for analysis of bias.

RESULTS: A total of 150 unique records was identified, with 10 systematic reviews meeting the inclusion criteria. High- versus low-volume hospitals demonstrated an inverse relationship in terms of postoperative mortality following resection for rectal cancer (fixed- and random-effects models: odds ratio 0.73, 95 per cent confidence interval 0.64 to 0.82), colon cancer (fixed-effect model: odds ratio 0.74, 0.70 to 0.78; random-effects model: odds ratio 0.75, 0.69 to 0.81), and colorectal cancer (fixed- and random-effects models: odds ratio 0.77, 0.67 to 0.88). High- versus low-volume surgeons demonstrated an inverse relationship with respect to postoperative mortality following resection for rectal cancer (fixed- and random-effects models: odds ratio 0.69, 0.59 to 0.81), colon cancer (fixed-effect model: odds ratio 0.70, 0.63 to 0.77; random-effects model: odds ratio 0.68, 0.55 to 0.85), and colorectal cancer (fixed- and random-effects models: odds ratio 0.67, 0.60 to 0.74). There were no consistent significant differences in rates of the secondary outcomes (anastomotic leak rate, permanent stoma formation, local recurrence rate, rate of abdominoperineal excision of the rectum).

CONCLUSION: High-volume hospitals and surgeons are associated with both improved short- and long-term outcomes for patients undergoing colorectal cancer surgery. However, a specific cut-off definition for high- versus low-volume hospitals and surgeons is yet to be elucidated owing to the heterogeneity of existing volume definitions. Future studies are required to confirm a threshold for this dose-response relationship.

PMID:42341213 | DOI:10.1093/bjsopen/zrag074