Literature DB >> 27476452

Chemical Descriptors Are More Important Than Learning Algorithms for Modelling.

S Stanley Young1, Fei Yuan2, Mu Zhu3.   

Abstract

Keywords:  Average precision; Boosting; Ensemble algorithms; Kernel algorithms; Random forest; Support vector machine; Virtual screening

Year:  2012        PMID： 27476452     DOI： 10.1002/minf.201200031

Source DB:  PubMed          Journal:  Mol Inform        ISSN： 1868-1743            Impact factor:   3.353


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  3 in total

1.  3pHLA-score improves structure-based peptide-HLA binding affinity prediction.

Authors:  Anja Conev; Didier Devaurs; Mauricio Menegatti Rigo; Dinler Amaral Antunes; Lydia E Kavraki
Journal:  Sci Rep       Date:  2022-06-24       Impact factor: 4.996

Review 2.  Particle Safety Assessment in Additive Manufacturing: From Exposure Risks to Advanced Toxicology Testing.

Authors:  Andi Alijagic; Magnus Engwall; Eva Särndahl; Helen Karlsson; Alexander Hedbrant; Lena Andersson; Patrik Karlsson; Magnus Dalemo; Nikolai Scherbak; Kim Färnlund; Maria Larsson; Alexander Persson
Journal:  Front Toxicol       Date:  2022-04-25

3.  Universal fragment descriptors for predicting properties of inorganic crystals.

Authors:  Olexandr Isayev; Corey Oses; Cormac Toher; Eric Gossett; Stefano Curtarolo; Alexander Tropsha
Journal:  Nat Commun       Date:  2017-06-05       Impact factor: 14.919
  3 in total

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