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Statistics / Pharmacology / Medicinal chemistry / Drug discovery / Cheminformatics / Quantitative structure–activity relationship / ADAPA / Pic50 / Scientific modelling / Science / Chemistry / Computational chemistry


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City

Barcelona / Weinheim / /

Company

Cox / CVS / Creative Commons / The Hershey Company / /

Country

Spain / /

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Facility

Annex I. Building / Model building / Hospital del Mar Medical Research Institute / building Quantitative Structure-Activity Relationship / Model building In eTOXlab / For building / /

IndustryTerm

licensed software / chemical space / exposed web service / predictive toxicology applications / large chemical databases / visualization tools / software license / Machine learning algorithms / host server / pharmaceutical industry / generic workflow tools / web platform / e.g. food / online chemical information resource / software tools / elegant solutions / corporate computing facilities / web browser / linear interaction energy / chemoinformatic tools / open source modeling tools / basic web interface / software components / interaction energy / native common services / chemical safety assessment / required software / version management / open source software / web service / software functionality / open source tools / food / chemical modeling environment / prediction systems / Web-based services / software implementation / elegant solution / Scientific workflow systems / line solutions / prediction web services / generic tools / data mining software / cloud computing infrastructures / devoted centralized server / e.g. version management / basic version management tools / with other software / variable selection algorithm / chemometric tool / closed software / chemical structure / monolithic software application / external software / data mining toolbox / chemical information / web service application programming interface / with existing software / predictive systems / web services / built using open source tools / access using web services / /

OperatingSystem

VMs / Linux / Microsoft Windows / VM / GNU / /

Organization

Universitat Pompeu Fabra / Department of Experimental and Health Sciences / Classification / Data Analysis / and Knowledge Organization / European Union / /

Person

Oriol López / Manuel Pastor / Ferran Sanz / Pau Carrió / Aiguader / /

Position

http /

Product

eTOXlab / /

ProgrammingLanguage

R / Python / /

ProvinceOrState

Maryland / /

PublishedMedium

Machine Learning / /

Technology

object-oriented programming / virtual machine / RAM / Machine learning algorithms / X-ray / Linux / API / PKI / command line interface / machine learning / Operating system / FFD variable selection algorithm / encryption / drug discovery / data mining / drug design / same protocol / drug development / GUI / also be carried out using the provided GUI / be generated using the GUI / be built using the GUI / /

URL

http /

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