Literature DB >> 19117422

Findings of the challenge to predict aqueous solubility.

Anton J Hopfinger, Emilio Xavier Esposito, A Llinàs, R C Glen, J M Goodman.   

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Year:  2009        PMID： 19117422     DOI： 10.1021/ci800436c

Source DB:  PubMed          Journal:  J Chem Inf Model        ISSN： 1549-9596            Impact factor:   4.956


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  23 in total

1.  The SAMPL2 blind prediction challenge: introduction and overview.

Authors:  Matthew T Geballe; A Geoffrey Skillman; Anthony Nicholls; J Peter Guthrie; Peter J Taylor
Journal:  J Comput Aided Mol Des       Date:  2010-05-09       Impact factor: 3.686

2.  Calculating Partition Coefficients of Small Molecules in Octanol/Water and Cyclohexane/Water.

Authors:  Caitlin C Bannan; Gaetano Calabró; Daisy Y Kyu; David L Mobley
Journal:  J Chem Theory Comput       Date:  2016-08-01       Impact factor: 6.006

3.  In Silico Prediction of Physicochemical Properties of Environmental Chemicals Using Molecular Fingerprints and Machine Learning.

Authors:  Qingda Zang; Kamel Mansouri; Antony J Williams; Richard S Judson; David G Allen; Warren M Casey; Nicole C Kleinstreuer
Journal:  J Chem Inf Model       Date:  2017-01-09       Impact factor: 4.956

4.  Cocrystal Solubility Product Prediction Using an in combo Model and Simulations to Improve Design of Experiments.

Authors:  Alex Avdeef
Journal:  Pharm Res       Date:  2018-02-02       Impact factor: 4.200

5.  Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling research.

Authors:  Denis Fourches; Eugene Muratov; Alexander Tropsha
Journal:  J Chem Inf Model       Date:  2010-07-26       Impact factor: 4.956

6.  Using MD Simulations To Calculate How Solvents Modulate Solubility.

Authors:  Shuai Liu; Shannon Cao; Kevin Hoang; Kayla L Young; Andrew S Paluch; David L Mobley
Journal:  J Chem Theory Comput       Date:  2016-03-02       Impact factor: 6.006

7.  Aqueous Solubility of Organic Compounds for Flow Battery Applications: Symmetry and Counter Ion Design to Avoid Low-Solubility Polymorphs.

Authors:  Sergio Navarro Garcia; Xian Yang; Laura Bereczki; Dénes Kónya
Journal:  Molecules       Date:  2021-02-24       Impact factor: 4.411

8.  Binary classification of aqueous solubility using support vector machines with reduction and recombination feature selection.

Authors:  Tiejun Cheng; Qingliang Li; Yanli Wang; Stephen H Bryant
Journal:  J Chem Inf Model       Date:  2011-01-07       Impact factor: 4.956

9.  Bioequivalence of Generic and Brand Name Clozapine in Korean Schizophrenic Patients: A Randomized, Two-Period, Crossover Study.

Authors:  Young Sup Woo; Hee-Ryung Wang; Bo-Hyun Yoon; Sang-Yeol Lee; Kwang Hun Lee; Jeong Seok Seo; Won-Myong Bahk
Journal:  Psychiatry Investig       Date:  2015-07-06       Impact factor: 2.505

10.  Cheminformatics Research at the Unilever Centre for Molecular Science Informatics Cambridge.

Authors:  Julian E Fuchs; Andreas Bender; Robert C Glen
Journal:  Mol Inform       Date:  2015-03-10       Impact factor: 3.353
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