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Hello,

I just would like to let you know that I made a simple web interface for several machine learning algorithms: prediction of boiling points of alkanes, prediction of solubility of organic compounds, prediction of melting points, mutagenicity/toxicity prediction. The app is available at http://py-chemist.com/ml_app. If you have any comments/suggestion  how to improve the app feel free to contact me.

Thank you.

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Final Call For Oral Contributions - German Conference on Chemoinformatics

The divison Chemistry-Information-Computer (CIC) of the German Chemical Society cordially invites you to participate in the 
11th German Conference on Chemoinformatics.
The conference will take place
November, 08. - 10., 2015
FULDA, Germany.

There will be sessions on:
Chemoinformatics and Drug Discovery
Molecular Modelling
Solvation
Protein Modelling
New Developments
The aim of the conference is to reflect and highlight the new role of cheminformatics in the modern information world. It will span a wide range of subjects related to the use of computers in chemistry, pharmacy, materials science and biology; from chem- and bioinformatics to explicit modelling and from industrial applications to fundamental academic research.

The scientific programme will include plenary and contributed lectures, research telegrams and posters. The deadline for submissions of oral contributions is June 30, 2015. The deadline for poster submissions is August 30, 2015.
See more details at http://www.gdch.de/gcc2015 or call for papers.

Confirmed Speakers:
Jonathan W. Essex Southampton/UK
Chris de Graaf Amsterdam/NL
Stefan Güssregen Frankfurt/DE
Stefan M. Kast Dortmund/DE
Nicola Richmond Middlesex/UK
Joan-Emma Shea Santa Barbara/US
Andrew Torda Hamburg/DE
Registration will soon open at:
http://www.gdch.de/gcc2015

The organizers.

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Hello,

I am currently mastering my skills in machine learning and made several small projects of machine learning application in cheminformatics using RDKIT, Pybel, and Sklearn (links to ipython notebooks can be found here https://github.com/py-chemist/Machine-Learning-for-Cheminformatics). Also I am looking for an opportunity to contribute to a project(s) related to cheminformatics/bioinformatics/drug discovery. A more detailed information about my background and computer/programming skills can be found in my CV (https://www.dropbox.com/s/yb9xstlybq6tdpg/CV_Vitali_Coltuclu.pdf?dl=0). Please let me know if my skills can be applied to your projects. I'll be glad to discuss that in more details.  

Thank you,
Vitali

I am an organic chemist (Ph.D.) who became highly interested in cheminformatics. I taught myself how to program (more specifically in Python) and I am currently looking for a job in the field of cheminformatics. I've noticed that there are only few job openings available in that area. Is it because I am looking in "a wrong place" or indeed, there is no need in cheminformaticians (I am talking about US job market only). 

Any comments/opinions are highly appreciated.

NEED HELP....Urgently...
Is there any tool to create the SMILES of NUCLEIC ACID polymers form their sequence as "ATGC" or the way of joining them... or any related infoemation ....please forward me

Is there any tool to calculate the dissociation energy of a bond in a molecule? I tried RDKit, but no luck...

3 MONTHS & 6 MONTHS RESEARCH PROJECTS | Major / Internship Projects 
- Leukemia
- Tyrosinase Inhibitors
http://www.biodiscoverygroup.com/JSP/LifeSciences/ResearchProjects.jsp 

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Pardon any cross postings, but David Wild and I have been organizing an intercollegiate Cheminformatics Course, the Cheminformatics OLCC, and we want you all to know that you are welcome to participate in this project.  More information can be found at our development site, http://olcc.ccce.us/.

We are about to go public with this project, and are now writing up a paper for discussion with the CHED community in the CHED CCCE Newsletter, which should occur Nov. 4-6,
http://www.ccce.divched.org/Fall2013Newsletter

Please join us if you like, and you can contact either David or myself if you would like more information on this project

Cheers,
Bob Belford
(rebelford@ualr.edu)
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