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Scoring functions for docking - Wikipedia
Finally the scoring function itself may be used to help predict both the binding mode and the active conformation of the small molecule in the complex, or alternatively a simpler and computationally faster function may be utilised within the docking run. Classes. There are four general classes of scoring functions:
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Glossary of Common Terms and API Elements - scikit-learn
The score function can be a string accepted by metrics.get_scorer or a callable scorer, not to be confused with an evaluation metric, as the latter have a more diverse API. scoring may also be set to None, in which case the estimator’s score method is used. See The scoring parameter: defining model evaluation rules in the User Guide.
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AutoDock Vina: improving the speed and accuracy of docking ... - PubMed
Jan 30, 2010 · AutoDock Vina, a new program for molecular docking and virtual screening, is presented. AutoDock Vina achieves an approximately two orders of magnitude speed-up compared with the molecular docking software previously developed in our lab (AutoDock 4), while also significantly improving the accuracy of the binding mode predictions, judging by our …
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sklearn.model_selection.GridSearchCV - scikit-learn
scorer_ function or a dict. Scorer function used on the held out data to choose the best parameters for the model. For multi-metric evaluation, this attribute holds the validated scoring dict which maps the scorer key to the scorer callable. n_splits_ int. The number of cross-validation splits (folds/iterations). refit_time_ float
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Civil Service competency framework - GOV.UK
Nov 06, 2018 · An outline of the skills and behaviours expected of civil servants. Job vacancies will list whether the post uses this framework, or the Success Profiles.
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Home Page: Urology
Oct 06, 2021 · The mission of Urology ®, the "Gold Journal," is to provide practical, timely, and relevant clinical and scientific information to physicians and researchers practicing the art of urology worldwide; to promote equity and diversity among authors, reviewers, and editors; to provide a platform for discussion of current ideas in urologic education, patient engagement, …
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Home Page: The Journal of Pediatrics
Sep 28, 2022 · The Journal of Pediatrics is an international peer-reviewed journal that advances pediatric research and serves as a practical guide for pediatricians who manage health and diagnose and treat disorders in infants, children, and adolescents.The Journal publishes original work based on standards of excellence and expert review. The Journal seeks to publish high …
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Faculty & Research - Harvard Business School
This paper estimates the returns to human capital accumulation during the first era of megafirms in the United States by linking employees at General Electric—a canonical enterprise associated with the “visible hand” of managerial hierarchies—to data from the 1940 federal census.
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Graduate student WAIS-III scoring accuracy is a function of full …
Graduate student WAIS-III scoring accuracy is a function of full scale IQ and complexity of examiner tasks Assessment. 2005 Dec;12(4):445-54. doi: 10.1177 ... 2.55 for record form condition). Self-reported proficiency in WAIS-III administration and scoring is positively related to number of scoring errors. MeSH terms Female ...
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tf–idf - Wikipedia
Term frequency–inverse document frequency. Then tf–idf is calculated as (,,) = (,) (,)A high weight in tf–idf is reached by a high term frequency (in the given document) and a low document frequency of the term in the whole collection of documents; the weights hence tend to filter out common terms. Since the ratio inside the idf's log function is always greater than or equal to …
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