reccr.chem.rpi.edu

Rensselaer Exploratory Center for Cheminformatics Research

Rensselaer Exploratory Center for Cheminformatics Research (RECCR). The Rensselaer Exploratory Center for Cheminformatics Research. Using theoretical or experimental methods for creating or extracting knowledge;. Machine Learning and Datamining. Model validation, feature selection, pattern recognition, generation of potentials of mean force and knowledge-based potentials;. Utilizing the information made available using the new tools and methods that are developed as part of RECCR.

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Rensselaer Exploratory Center for Cheminformatics Research | reccr.chem.rpi.edu Reviews

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Rensselaer Exploratory Center for Cheminformatics Research (RECCR). The Rensselaer Exploratory Center for Cheminformatics Research. Using theoretical or experimental methods for creating or extracting knowledge;. Machine Learning and Datamining. Model validation, feature selection, pattern recognition, generation of potentials of mean force and knowledge-based potentials;. Utilizing the information made available using the new tools and methods that are developed as part of RECCR.

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Rensselaer Exploratory Center for Cheminformatics Research | reccr.chem.rpi.edu Reviews

https://reccr.chem.rpi.edu

Rensselaer Exploratory Center for Cheminformatics Research (RECCR). The Rensselaer Exploratory Center for Cheminformatics Research. Using theoretical or experimental methods for creating or extracting knowledge;. Machine Learning and Datamining. Model validation, feature selection, pattern recognition, generation of potentials of mean force and knowledge-based potentials;. Utilizing the information made available using the new tools and methods that are developed as part of RECCR.

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reccr.chem.rpi.edu

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Rensselaer Exploratory Center for Cheminformatics Research

http://reccr.chem.rpi.edu/index.html

Rensselaer Exploratory Center for Cheminformatics Research (RECCR). The Rensselaer Exploratory Center for Cheminformatics Research. Using theoretical or experimental methods for creating or extracting knowledge;. Machine Learning and Datamining. Model validation, feature selection, pattern recognition, generation of potentials of mean force and knowledge-based potentials;. Utilizing the information made available using the new tools and methods that are developed as part of RECCR.

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Rensselaer Exploratory Center for Cheminformatics Research: Data

http://reccr.chem.rpi.edu/data.html

Rensselaer Exploratory Center for Cheminformatics Research (RECCR). NCGC Pyruvate Kinase Inhibitors. With several sets of descriptors computed at RECCR. Example Dataset for ROMS modeling. PubChem provides information on the biological activities of small molecules. It is a component of NIH's Molecular Libraries. A free database of commercially-available compounds for virtual screening, containing over 4.6 million compounds in ready-to-dock, 3D formats. Protein Data Bank (PDB). Mother of All Databases.

3

Rensselaer Exploratory Center for Cheminformatics Research: Software

http://reccr.chem.rpi.edu/software.html

Rensselaer Exploratory Center for Cheminformatics Research (RECCR). Polymerdesign is an online server to predict dielectric constants, dielectric loss tangent, band gap, glass transition temperature and suitable solvents for pure polymers. It utilizes a new set of descriptors designed for polymers called infinite chain descriptors. This project is supported by Office of Naval Research (ONR). SOLE - Beta version. The SVR-based Online Learning Equipment (SOLE) is a web-based machine learning system. Th...

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Rensselaer Exploratory Center for Cheminformatics Research: Publications

http://reccr.chem.rpi.edu/publications.html

Rensselaer Exploratory Center for Cheminformatics Research (RECCR). Curt M. Breneman. Kristin P. Bennett. Mark J. Embrechts. James A. Moore. Mark P. Wentland. All Selected RECCR Publications.

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Charles Bergeron's Webpage

http://reccr.chem.rpi.edu/MIRank

Multiple Instance Ranking (MIRank). A novel machine learning paradigm that solves new problems. Overview, Software and Datasets. In this figure, the goal is to find the ranking function (orange arrow) so as to predict, for each box (red rectangle), an item (green star) belonging to the preferred bag (green ellipse). Others bags (blue ellipses) and items within (blue parallelograms) also appear. The complete MIRank paper. Proceedings of the International Conference on Machine Learning. Can be found here.

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chemoinformatician.co.uk

Wiki

http://chemoinformatician.co.uk/wiki

I have just accepted a position as a scientific software developer to work at OpenEye [1]. I have just finished my postdoctoral position at Cambridge University in the group of Peter Murray-Rust [2]. I will be attending the 240. ACS in Boston [3]. And presenting a poster in the CINF division. My research focussed on the development and application of semantic web technologies for polymer science. The main focus of my postdoc was to develop ontologies using the Web Ontology Language [4]. See also CSA Trust.

research.rpi.edu

Nanotechnology and Advanced Materials | Office For Research

http://research.rpi.edu/nano

Skip to main content. Immersive Environments in Action at Rensselaer Research Showcase. August 19, 2016 -. Research projects under development within the Curtis R. Priem Experimental Media and Performing Arts Center (EMPAC) at Rensselaer Polytechnic Institute. Were on stage for the institute’s third annual research showcase held Thursday. A New Approach To Building Efficient Thermoelectric Nanomaterials. June 16, 2016 -. Creator of Darkest Material on Earth Honored by IEEE. June 9, 2016 -. April 4, 2016 -.

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Rensselaer Exploratory Center for Cheminformatics Research

Rensselaer Exploratory Center for Cheminformatics Research (RECCR). The Rensselaer Exploratory Center for Cheminformatics Research. Using theoretical or experimental methods for creating or extracting knowledge;. Machine Learning and Datamining. Model validation, feature selection, pattern recognition, generation of potentials of mean force and knowledge-based potentials;. Utilizing the information made available using the new tools and methods that are developed as part of RECCR.

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