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Olexandr Isayev | Making sense from chemical data

Olexandr Isayev, Ph.D, scientist at UNC. Making sense of chemical data with molecular modeling, GPU computing and machine learning.

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Olexandr Isayev

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Olexandr Isayev | Making sense from chemical data | olexandrisayev.com Reviews
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Olexandr Isayev, Ph.D, scientist at UNC. Making sense of chemical data with molecular modeling, GPU computing and machine learning.
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Olexandr Isayev | Making sense from chemical data | olexandrisayev.com Reviews

https://olexandrisayev.com

Olexandr Isayev, Ph.D, scientist at UNC. Making sense of chemical data with molecular modeling, GPU computing and machine learning.

INTERNAL PAGES

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Olexandr Isayev | WATOC Congress 2014, Santiago

http://olexandrisayev.com/watoc-congress-2014

Drug Discovery with Deep Learning. Drug Discovery with Deep Learning. WATOC Congress 2014, Santiago. WATOC Congress 2014, Santiago. 0 Comments http%3A%2F%2Folexandrisayev.com%2Fwatoc-congress-2014%2F. WATOC Congress 2014%2C Santiago. No Comments http%3A%2F%2Folexandrisayev.com%2Fwatoc-congress-2014%2F. WATOC Congress 2014%2C Santiago. Sorry, the comment form is closed at this time.

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Olexandr Isayev | NVIDIA GPU Computing award

http://olexandrisayev.com/nvidia-gpu-computing-award

Drug Discovery with Deep Learning. Drug Discovery with Deep Learning. NVIDIA GPU Computing award. NVIDIA GPU Computing award. 0 Comments http%3A%2F%2Folexandrisayev.com%2Fnvidia-gpu-computing-award%2F. NVIDIA GPU Computing award. Olexandr won the NVIDIA GPU Poster Competition with his poster “ Toward virtual screening of billions of compounds using GPU-accelerated cheminformatics methods. 8221; Olexandr was awarded an NVIDIA Tesla K40! NVIDIA GPU Computing award.

3

Olexandr Isayev | MRS Bulletin news coverage on Materials fingerprints

http://olexandrisayev.com/mrs-bulletin-news-coverage-on-materials-fingerprints

Drug Discovery with Deep Learning. Drug Discovery with Deep Learning. MRS Bulletin news coverage on Materials fingerprints. Posted at 14 Apr, 17:04h. 0 Comments http%3A%2F%2Folexandrisayev.com%2Fmrs-bulletin-news-coverage-on-materials-fingerprints%2F. MRS Bulletin news coverage on Materials fingerprints. Mdash; MRS Bulletin news coverage on Materials fingerprints. Materials fingerprints identified for informatics. April 2015, pp 305-305. Http:/ journals.cambridge.org/action/displayAbstract?

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Olexandr Isayev | Materials Cartography

http://olexandrisayev.com/materials-cartography

Drug Discovery with Deep Learning. Drug Discovery with Deep Learning. As the proliferation of high-throughput approaches in materials science is increasing the wealth of data in the field, the gap between accumulated-information and derived-knowledge widens. We address the issue of scientific discovery in materials databases by introducing novel analytic approaches based on structural and electronic materials fingerprints. The framework is employed to:. In the cartogram, the nodes of the network are indi...

5

Olexandr Isayev | CV

http://olexandrisayev.com/cv

Drug Discovery with Deep Learning. Drug Discovery with Deep Learning. Pdf file, 575 kb. Pdf file, 300 kb.

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Computational Chemistry Highlights: January 2015

http://www.compchemhighlights.org/2015_01_01_archive.html

Important recent papers in computational and theoretical chemistry. A free resource for scientists run by scientists. Tuesday, January 27, 2015. Construction of a Highly Distorted Benzene Ring in a Double Helicene. Hashimoto, S. Nakatsuka, S. Nakamura, M. Hatakeyama, T. Angew. Chem. Int. Ed. 2014, 53, 14074-14076. Contributed by Steven Bachrach. Reposted from Computational Organic Chemistry. And its x-ray crystal structure is reported. The compound exhibits C. The B3LYP/6-31G(d) structure of 1. B3LYP/6-3...

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Program | 13th Southern School on Computational Chemistry and Materials Science

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Southern School on Computational Chemistry. Design by Olexandr Isayev.

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Committee | 13th Southern School on Computational Chemistry and Materials Science

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Southern School on Computational Chemistry. Chairman) Jackson State University. Co-Chair) Jackson State University. Design by Olexandr Isayev.

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Directions | 12th Southern School on Computational Chemistry and Materials Science

http://sscc.icnanotox.org/directions.html

Southern School on Computational Chemistry. View JSU Student Center. In a larger map. Click here for the map of the area with the JSU Student Center indicated with arrow symbol. You will be transferred to the Google maps in a new window. You will be able to get directions to/from Campus on the above page. JSU Student Center directions:. Phone: 1 601 932 2859. JSU Student Center direction: 14.3 miles SW. Design by Olexandr Isayev.

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Abstracts & Pictures | 13th Southern School on Computational Chemistry and Materials Science

http://sscc.icnanotox.org/abstracts.html

Southern School on Computational Chemistry. The deadline for abstract and picture submission is July 9, 2013. Please prepare your abstract strictly according to the following SSCC Abstract template. (*.doc, 104kB). Download DOC file. Format: Microsoft Word 2003 2010. Size: 1 4 pages. Font: Times New Roman. Address: Should contain on separate lines the Title, Authors, and Affiliation. Pictures, if any, should be inserted. Should be e-mailed before the deadline to shonda@icnanotox.org.

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Accommodation | 13th Southern School on Computational Chemistry and Materials Science

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Southern School on Computational Chemistry. Information will be available soon. Design by Olexandr Isayev.

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Flexografia

Jueves, 8 de noviembre de 2007. Formas en RELIEVE - FLEXOGRAFIA. Los mayoría de los sistemas de impresión utilizan una forma o molde para reproducir copias del original en un soporte. La forma o molde es tratado de tal manera que en unas zonas -contragrafismos- no recibe la tinta o se limpia y en otras zonas -grafismos- recibe la tinta. Las diferencias para delimitar esas zonas determinan los distintos sistemas de impresión. 2 Propiedades de las formas impresoras en relieve. Resistencia a los disolventes.

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Olexandr Isayev | Making sense from chemical data

Drug Discovery with Deep Learning. Drug Discovery with Deep Learning. Data Mining and Visualization for Materials Science. Cheminformatics with GPU Computing. Deep Learning for Drug Discovery. Are the reduction and oxidation properties of nitrocompounds dissolved in water different from those adsorbed on a silica surface? J Comp. Chem. 1029 1035. [doi: 10.1002/jcc.23878. In silico structure-function analysis of E. cloacae nitroreductase. 80, 2728-2741. [doi: 10.1002/prot.24157. 02 October, 2015. Over the...

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