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Reply to “Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery”
In response to Krstajic’s letter to the editor concerning our published paper, we here take the opportunity to reply, to re-iterate that no errors in our work were identified, to provide further details, and to re-emphasise the outputs of our study. Moreover, we highlight that all of the data are fr...
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| Published in: | Journal of cheminformatics 2019-11, Vol.11 (1), p.64-3, Article 64 |
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| Main Authors: | , , , , , |
| Format: | Article |
| Language: | English |
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| cited_by | cdi_FETCH-LOGICAL-c637t-cd8f9478f56e60bee527e42a39de3790cba3a7494f68b50f9aaeabb21cb620493 |
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| cites | cdi_FETCH-LOGICAL-c637t-cd8f9478f56e60bee527e42a39de3790cba3a7494f68b50f9aaeabb21cb620493 |
| container_end_page | 3 |
| container_issue | 1 |
| container_start_page | 64 |
| container_title | Journal of cheminformatics |
| container_volume | 11 |
| creator | Bosc, Nicolas Atkinson, Francis Félix, Eloy Gaulton, Anna Hersey, Anne Leach, Andrew R. |
| description | In response to Krstajic’s letter to the editor concerning our published paper, we here take the opportunity to reply, to re-iterate that no errors in our work were identified, to provide further details, and to re-emphasise the outputs of our study. Moreover, we highlight that all of the data are freely available for the wider scientific community (including the aforementioned correspondent) to undertake follow-on studies and comparisons. |
| doi_str_mv | 10.1186/s13321-019-0388-x |
| format | article |
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Moreover, we highlight that all of the data are freely available for the wider scientific community (including the aforementioned correspondent) to undertake follow-on studies and comparisons.</description><identifier>ISSN: 1758-2946</identifier><identifier>EISSN: 1758-2946</identifier><identifier>DOI: 10.1186/s13321-019-0388-x</identifier><identifier>PMID: 33430932</identifier><language>eng</language><publisher>Cham: Springer International Publishing</publisher><subject>Cheminformatics ; Chemistry ; Chemistry and Materials Science ; Computational Biology/Bioinformatics ; Computer Applications in Chemistry ; Documentation and Information in Chemistry ; Drug discovery ; Letter to the Editor ; Pharmacological research ; Structure-activity relationships ; Structure-activity relationships (Biochemistry) ; Theoretical and Computational Chemistry</subject><ispartof>Journal of cheminformatics, 2019-11, Vol.11 (1), p.64-3, Article 64</ispartof><rights>The Author(s) 2019</rights><rights>COPYRIGHT 2019 BioMed Central Ltd.</rights><rights>Journal of Cheminformatics is a copyright of Springer, (2019). All Rights Reserved. © 2019. This work is published under http://creativecommons.org/licenses/by/4.0/ (the “License”). 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Moreover, we highlight that all of the data are freely available for the wider scientific community (including the aforementioned correspondent) to undertake follow-on studies and comparisons.</description><subject>Cheminformatics</subject><subject>Chemistry</subject><subject>Chemistry and Materials Science</subject><subject>Computational Biology/Bioinformatics</subject><subject>Computer Applications in Chemistry</subject><subject>Documentation and Information in Chemistry</subject><subject>Drug discovery</subject><subject>Letter to the Editor</subject><subject>Pharmacological research</subject><subject>Structure-activity relationships</subject><subject>Structure-activity relationships (Biochemistry)</subject><subject>Theoretical and Computational 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to “Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery”</title><author>Bosc, Nicolas ; Atkinson, Francis ; Félix, Eloy ; Gaulton, Anna ; Hersey, Anne ; Leach, Andrew R.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c637t-cd8f9478f56e60bee527e42a39de3790cba3a7494f68b50f9aaeabb21cb620493</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2019</creationdate><topic>Cheminformatics</topic><topic>Chemistry</topic><topic>Chemistry and Materials Science</topic><topic>Computational Biology/Bioinformatics</topic><topic>Computer Applications in Chemistry</topic><topic>Documentation and Information in Chemistry</topic><topic>Drug discovery</topic><topic>Letter to the Editor</topic><topic>Pharmacological research</topic><topic>Structure-activity relationships</topic><topic>Structure-activity relationships 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Moreover, we highlight that all of the data are freely available for the wider scientific community (including the aforementioned correspondent) to undertake follow-on studies and comparisons.</abstract><cop>Cham</cop><pub>Springer International Publishing</pub><pmid>33430932</pmid><doi>10.1186/s13321-019-0388-x</doi><tpages>3</tpages><orcidid>https://orcid.org/0000-0003-3562-1328</orcidid><oa>free_for_read</oa></addata></record> |
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| ispartof | Journal of cheminformatics, 2019-11, Vol.11 (1), p.64-3, Article 64 |
| issn | 1758-2946 1758-2946 |
| language | eng |
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| source | NCBI_PubMed Central（免费）; Publicly Available Content Database; Springer Nature - SpringerLink Journals - Fully Open Access; Free Full-Text Journals in Chemistry |
| subjects | Cheminformatics Chemistry Chemistry and Materials Science Computational Biology/Bioinformatics Computer Applications in Chemistry Documentation and Information in Chemistry Drug discovery Letter to the Editor Pharmacological research Structure-activity relationships Structure-activity relationships (Biochemistry) Theoretical and Computational Chemistry |
| title | Reply to “Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery” |
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