Literature DB >> 14741005

The problem of overfitting.

Douglas M Hawkins1.   

Abstract

Year:  2004        PMID： 14741005     DOI： 10.1021/ci0342472

Source DB:  PubMed          Journal:  J Chem Inf Comput Sci        ISSN： 0095-2338


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  233 in total

1.  Robust scoring functions for protein-ligand interactions with quantum chemical charge models.

Authors:  Jui-Chih Wang; Jung-Hsin Lin; Chung-Ming Chen; Alex L Perryman; Arthur J Olson
Journal:  J Chem Inf Model       Date:  2011-10-07       Impact factor: 4.956

2.  A QSAR study of radical scavenging antioxidant activity of a series of flavonoids using DFT based quantum chemical descriptors--the importance of group frontier electron density.

Authors:  Ananda Sarkar; Tapas Ranjan Middya; Atish Dipnakar Jana
Journal:  J Mol Model       Date:  2011-11-13       Impact factor: 1.810

3.  Computation, experiment and molecular design.

Authors:  Peter W Kenny
Journal:  J Comput Aided Mol Des       Date:  2011-12-11       Impact factor: 3.686

4.  Antiproliferative Pt(IV) complexes: synthesis, biological activity, and quantitative structure-activity relationship modeling.

Authors:  Paola Gramatica; Ester Papa; Mara Luini; Elena Monti; Marzia B Gariboldi; Mauro Ravera; Elisabetta Gabano; Luca Gaviglio; Domenico Osella
Journal:  J Biol Inorg Chem       Date:  2010-06-06       Impact factor: 3.358

Review 5.  Statistical Challenges in Identifying Risk Factors for Aortic Disease.

Authors:  John A Rizzo; Jie Chen; Hai Fang; Bulat A Ziganshin; John A Elefteriades
Journal:  Aorta (Stamford)       Date:  2014-04-01

6.  Infrared spectroscopy and multivariate methods as a tool for identification and quantification of fuels and lubricant oils in soil.

Authors:  Maurílio Gustavo Nespeca; Gabriel Baroffaldi Piassalonga; José Eduardo de Oliveira
Journal:  Environ Monit Assess       Date:  2018-01-09       Impact factor: 2.513

7.  Statistical variation in progressive scrambling.

Authors:  Robert D Clark; Peter C Fox
Journal:  J Comput Aided Mol Des       Date:  2004 Jul-Sep       Impact factor: 3.686

8.  Comparison of commercially available genetic algorithms: gas as variable selection tool.

Authors:  Sabine Schefzick; Mary Bradley
Journal:  J Comput Aided Mol Des       Date:  2004 Jul-Sep       Impact factor: 3.686

9.  Reverse engineering chemical structures from molecular descriptors: how many solutions?

Authors:  Jean-Loup Faulon; W Michael Brown; Shawn Martin
Journal:  J Comput Aided Mol Des       Date:  2005-11-03       Impact factor: 3.686

10.  Evaluation of the Classification Accuracy of the Kidney Biopsy Direct Immunofluorescence through Convolutional Neural Networks.

Authors:  Giulia Ligabue; Federico Pollastri; Francesco Fontana; Marco Leonelli; Luciana Furci; Silvia Giovanella; Gaetano Alfano; Gianni Cappelli; Francesca Testa; Federico Bolelli; Costantino Grana; Riccardo Magistroni
Journal:  Clin J Am Soc Nephrol       Date:  2020-09-16       Impact factor: 8.237
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