Dataset of the article Prediction of Antileishmanial Compounds: General Model, Preparation, and Evaluation of 2‑Acylpyrrole Derivatives
Detailed information of the biological activity of the more interesting compounds, including the compound code, concentration, repeated measures of biological activity, average values; graphic representations of dose–effect curves for these compounds and the drug of reference, miltefosine.
| Autores: | , , , , , , , , |
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| Tipo de recurso: | conjunto de datos |
| Fecha de publicación: | 2022 |
| País: | España |
| Institución: | Consejo Superior de Investigaciones Científicas (CSIC) |
| Repositorio: | DIGITAL.CSIC. Repositorio Institucional del CSIC |
| OAI Identifier: | oai:digital.csic.es:10261/331596 |
| Acceso en línea: | http://hdl.handle.net/10261/331596 |
| Access Level: | acceso abierto |
| Palabra clave: | Potential target proteins Friendly interface making Relative biological activity 700 activity scores Antileishmanial compound candidates 5bd 5bc Obtain ifptml models Different ml algorithms b 50 Leishmanicidal activity vs Vitro Leishmania Antileishmanial hits Throughput screening Svm ), rf ), Random forests Performed calculating One strategy Logistic regression j774 cells Large space General models Evaluated finding Computational high Chembl dataset Cell lines Approximately 6 87 μm 28 derivatives 100 μg |
| Sumario: | Detailed information of the biological activity of the more interesting compounds, including the compound code, concentration, repeated measures of biological activity, average values; graphic representations of dose–effect curves for these compounds and the drug of reference, miltefosine. |
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