Literature DB >> 17081647

Application of data mining approaches to drug delivery.

Sean Ekins1, Jun Shimada, Cheng Chang.   

Abstract

Computational approaches play a key role in all areas of the pharmaceutical industry from data mining, experimental and clinical data capture to pharmacoeconomics and adverse events monitoring. They will likely continue to be indispensable assets along with a growing library of software applications. This is primarily due to the increasingly massive amount of biology, chemistry and clinical data, which is now entering the public domain mainly as a result of NIH and commercially funded projects. We are therefore in need of new methods for mining this mountain of data in order to enable new hypothesis generation. The computational approaches include, but are not limited to, database compilation, quantitative structure activity relationships (QSAR), pharmacophores, network visualization models, decision trees, machine learning algorithms and multidimensional data visualization software that could be used to improve drug delivery after mining public and/or proprietary data. We will discuss some areas of unmet needs in the area of data mining for drug delivery that can be addressed with new software tools or databases of relevance to future pharmaceutical projects.

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Year:  2006        PMID: 17081647     DOI: 10.1016/j.addr.2006.09.005

Source DB:  PubMed          Journal:  Adv Drug Deliv Rev        ISSN: 0169-409X            Impact factor:   15.470


  4 in total

1.  Chemical space: missing pieces in cheminformatics.

Authors:  Sean Ekins; Rishi R Gupta; Eric Gifford; Barry A Bunin; Chris L Waller
Journal:  Pharm Res       Date:  2010-08-04       Impact factor: 4.200

Review 2.  In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling.

Authors:  S Ekins; J Mestres; B Testa
Journal:  Br J Pharmacol       Date:  2007-06-04       Impact factor: 8.739

Review 3.  Machine Learning Meets with Metal Organic Frameworks for Gas Storage and Separation.

Authors:  Cigdem Altintas; Omer Faruk Altundal; Seda Keskin; Ramazan Yildirim
Journal:  J Chem Inf Model       Date:  2021-04-29       Impact factor: 4.956

Review 4.  Adaptation of high-throughput screening in drug discovery-toxicological screening tests.

Authors:  Paweł Szymański; Magdalena Markowicz; Elżbieta Mikiciuk-Olasik
Journal:  Int J Mol Sci       Date:  2011-12-29       Impact factor: 5.923

  4 in total

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