Replication Data for: ADMET free online prediction tools for academic or small biotech environments

DOI

This data set includes all the Supplementary information corresponding to the paper entitled “ADMET free online prediction tools for academic or small biotech environments”. More particularly the characteristics of the free software and web servers for the prediction of physicochemical and pharmacokinetic properties of drug candidates, the properties that are predicted, the experimental data for a set of 24 FDA-approved tyrosine kinase inhibitors (TKIs), the properties predicted for such TKIs using the free web servers, and the comparison of the predicted and experimental data together with the statistical analysis of such comparisons.

Identifier
DOI https://doi.org/10.34810/data526
Related Identifier IsCitedBy https://doi.org/10.3390/molecules28020776
Metadata Access https://dataverse.csuc.cat/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.34810/data526
Provenance
Creator Júlia Dulsat (ORCID: 0000-0001-9349-342X); Blanca López-Nieto; Roger Estrada-Tejedor ORCID logo; José I. Borrell ORCID logo
Publisher CORA.Repositori de Dades de Recerca
Contributor José I. Borrell
Publication Year 2023
Funding Reference Ministerio de Ciencia, Innovación y Universidades RTI2018-096455-B-I00
Rights CC BY-NC 4.0; info:eu-repo/semantics/openAccess; http://creativecommons.org/licenses/by-nc/4.0
OpenAccess true
Contact José I. Borrell (Universitat Ramon Llull)
Representation
Resource Type Aggregate data; Dataset
Format text/plain; text/csv; application/pdf; text/comma-separated-values; text/tab-separated-values
Size 8897; 10051; 118087; 10690; 4704; 3471; 1407; 1897; 1683; 2524; 4841; 1172; 7002; 4637; 6896; 9902; 7820; 2626; 4269
Version 1.1
Discipline Chemistry; Natural Sciences