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- person_outline Peter Li
- person_outline myExperiment team
Publications for myExperiment
Molecular structures enumeration and virtual screening in the chemical space with RetroPath2.0
[…] results presented in this paper have been produced making use of the open source workflow RetroPath2.0. RetroPath2.0 and the associated data are provided as Additional file and can be downloaded at MyExperiment.org. The only differences between the various usages we have made of the RetroPath2.0 are within (1) the set of reaction rules and (2) the way molecules are selected at each iteration dur […]
Spatiotemporal analysis of tropical disease research combining Europe PMC and affiliation mapping web services
[…] c.) and publication type (full text, open access, reviews, books, and documents). A Taverna  workflow profilePublications_over_time integrating this service is shown in Fig. and also shared on the myExperiment  website (http://myexperiment.org/workflows/4980.html). This workflow takes as input one or more Europe PMC search queries. From each of these, the Build_Queries_1900_2016 component gen […]
Integration of EGA secure data access into Galaxy
[…] up to the final results. As a result, we have: shared molecular data via EGA;created new Galaxy tools;shared the workflow, including all parameters, via a URL for Galaxy (as a shared history) and via myExperiment ;shared the interpreted data as a Galaxy history;shared a manual as a Galaxy page on how to set up such an experiment. shared molecular data via EGA;created new Galaxy tools;shared the wo […]
From linked open data to molecular interaction: studying selectivity trends for ligands of the human serotonin and dopamine transporter† †The authors declare no competing interests. ‡ ‡Electronic supplementary information (ESI) available. See DOI: 10.1039/c6md00207b Click here for additional data file. Click here for additional data file. Click here for additional data file. Click here for additional data file. Click here for additional data file. Click here for additional data file. Click here for additional data file. Click here for additional data file.
[…] . All further data filtering, preprocessing, and analyses were done in a single KNIME (version 2.11) workflow, which is fully flexible to be adopted to other protein targets and openly available from myExperiment (www.myexperiment.org).The workflows consist of the following steps: […]
Scientific workflows for bibliometrics
[…] eliminate manual steps in analysis pipelines and provide reusability and repeatability of bibliometrics analyses. All workflows for bibliometrics and scientometrics presented here can be found in the myExperiment group for Bibliometrics and Scientometrics (http://myexperiment.org/groups/1278.html). […]
Scientific workflow optimization for improved peptide and protein identification
[…] not only parameters but also algorithms, we included a retention time prediction in the workflow. The workflow in Fig. , shown in grey was used for the optimization. It can be accessed at http://www.myexperiment.org/workflows/3691.html. In addition to peptide-spectrum matching, we may choose to incorporate additional information about the peptides in the identification or removal of false positiv […]
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