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J Greene

Publications and source records attributed to J Greene.

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Applications of random sampling to virtual screening of combinatorial libraries.

We describe statistical techniques for effective evaluation of large virtual combinatorial libraries (> 10(10) potential compounds). The methods described are used for computationally evaluating templates (prioritization of candidate libraries for synthesis and screening) and for the design of individual combinatorial libraries (e.g., for a given diversity site, reagents can be selected based on the estimated frequency with which they appear in products that pass a computational filter). These statistical methods are powerful because they provide a simple way to estimate the properties of the overall library without explicitly enumerating all of the possible products. In addition, they are fast and simple, and the amount of sampling required to achieve a desired precision is calculable. In this article, we discuss the computational methods that allow random product selection from a combinatorial library and the statistics involved in estimating errors from quantities obtained from such samples. We then describe three examples: (1) an estimate of average molecular weight for the several billion possible products in a four-component Ugi reaction, a quantity that can be calculated exactly for comparison; (2) the prioritization of four templates for combinatorial synthesis using a computational filter based on four-point pharmacophores; and (3) selection of reagents for the four-component Ugi reaction based on their frequency of occurrence in products that pass a pharmacophore filter.

Combinatorial Chemistry Techniques↗

Ethnic disparity in the performance of prenatal nutrition risk assessment among Medicaid-eligible women.

In this study, the authors compare perinatal health outcomes and nutrition risk assessments in Latina, African American, and white women receiving Medicaid enhanced perinatal services. The objective is to analyze how proper assessment of obesity and underweight depend upon ethnic group, provider practice setting and credentials, and the implications for perinatal outcomes. The medical records of women who received enhanced perinatal services from specially certified Medicaid providers in California were abstracted for information on nutrition risk assessment and outcomes. Logistic regression analysis was used to test the associations first of obesity and underweight with adverse outcomes in Latina, African American and white women, then the associations of ethnicity with the failure of these women to be classified as overweight or underweight during assessment. Finally, the associations between misclassification of body mass with provider practice setting type and credentials are also tested. Obese Latinas are twice as likely not to be properly classified as overweight, despite evidence of substantial risk of unfavorable outcomes. For all three ethnic groups, underweight women are uniformly underreported as being at risk. The appropriate classifications of obesity and underweight are not associated with private or public types of obstetric practice settings or whether nutrition risk assessors are registered dietitians, health workers, or nurses of any particular credential. Providers of prenatal care to low-income women could improve the quality of nutrition risk assessment of overweight Latina women and underweight women of all ethnic groups with expectations of improving perinatal outcomes.

Adolescent↗

Outcomes of enhanced prenatal services for Medicaid-eligible women in public and private settings.

OBJECTIVE: With changes in Medicaid, more low-income women are receiving prenatal care in private practice settings. The authors sought to determine whether private settings can provide the enhanced prenatal support services for low-income women that have been offered for decades in public settings. METHODS: The authors analyzed birth outcomes of Medicaid-eligible women receiving care from public and private providers certified to deliver enhanced prenatal care services, which included assessments of nutritional, psychosocial, and health educational risks and individualized counseling along with clinical care. Birth outcomes were compared by type of provider setting using multivariate logistic regression models to adjust for differences in risks and use of care. RESULTS: Among settings certified to deliver enhanced perinatal support services, private physicians' offices had the best risk-adjusted birth outcomes and public health department clinics the worst, while public hospital clinics had outcomes no different from private physicians' offices. Adjusted for prenatal care use, outcomes were still better for women seen in private physicians' offices than for women seen in public health department clinics, community clinics, or private hospital clinics. CONCLUSIONS: The findings suggest that given a certification process, private providers can provide enhanced support services as effectively as providers in public practice settings.

Ambulatory Care Facilities↗