Literature DB >> 22251444

Quantitative structure-property relationship modeling of diverse materials properties.

Tu Le1, V Chandana Epa, Frank R Burden, David A Winkler.   

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Year:  2012        PMID： 22251444     DOI： 10.1021/cr200066h

Source DB:  PubMed          Journal:  Chem Rev        ISSN： 0009-2665            Impact factor:   60.622


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  43 in total

1.  Beware of R(2): Simple, Unambiguous Assessment of the Prediction Accuracy of QSAR and QSPR Models.

Authors:  D L J Alexander; A Tropsha; David A Winkler
Journal:  J Chem Inf Model       Date:  2015-07-09       Impact factor: 4.956

Review 2.  Toward a systematic exploration of nano-bio interactions.

Authors:  Xue Bai; Fang Liu; Yin Liu; Cong Li; Shenqing Wang; Hongyu Zhou; Wenyi Wang; Hao Zhu; David A Winkler; Bing Yan
Journal:  Toxicol Appl Pharmacol       Date:  2017-03-24       Impact factor: 4.219

3.  KRAKENX: software for the generation of alignment-independent 3D descriptors.

Authors:  Vishwesh Venkatraman; Bjørn Kåre Alsberg
Journal:  J Mol Model       Date:  2016-03-29       Impact factor: 1.810

4.  Polymer Informatics: Opportunities and Challenges.

Authors:  Debra J Audus; Juan J de Pablo
Journal:  ACS Macro Lett       Date:  2017-09-15       Impact factor: 6.903

Review 5.  Sparse QSAR modelling methods for therapeutic and regenerative medicine.

Authors:  David A Winkler
Journal:  J Comput Aided Mol Des       Date:  2018-02-14       Impact factor: 3.686

6.  Norm index for predicting the rate constants of organic contaminants oxygenated with sulfate radical.

Authors:  Yajuan Shi; Fangyou Yan; Qingzhu Jia; Qiang Wang
Journal:  Environ Sci Pollut Res Int       Date:  2019-12-09       Impact factor: 4.223

7.  The role of molecular modelling and simulation in the discovery and deployment of metal-organic frameworks for gas storage and separation.

Authors:  Arni Sturluson; Melanie T Huynh; Alec R Kaija; Caleb Laird; Sunghyun Yoon; Feier Hou; Zhenxing Feng; Christopher E Wilmer; Yamil J Colón; Yongchul G Chung; Daniel W Siderius; Cory M Simon
Journal:  Mol Simul       Date:  2019       Impact factor: 2.178

8.  A self-attention based message passing neural network for predicting molecular lipophilicity and aqueous solubility.

Authors:  Bowen Tang; Skyler T Kramer; Meijuan Fang; Yingkun Qiu; Zhen Wu; Dong Xu
Journal:  J Cheminform       Date:  2020-02-21       Impact factor: 5.514

9.  Modelling human embryoid body cell adhesion to a combinatorial library of polymer surfaces.

Authors:  V Chandana Epa; Jing Yang; Ying Mei; Andrew L Hook; Robert Langer; Daniel G Anderson; Martyn C Davies; Morgan R Alexander; David A Winkler
Journal:  J Mater Chem       Date:  2012-09-18

10.  Stalking the Materials Genome: A Data-Driven Approach to the Virtual Design of Nanostructured Polymers.

Authors:  Curt M Breneman; L Catherine Brinson; Linda S Schadler; Bharath Natarajan; Michael Krein; Ke Wu; Lisa Morkowchuk; Yang Li; Hua Deng; Hongyi Xu
Journal:  Adv Funct Mater       Date:  2013-06-24       Impact factor: 18.808
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