ArticleInternational journal of molecular sciences2022
Antiproliferative Activity Predictor: A New Reliable In Silico Tool for Drug Response Prediction against NCI60 Panel.
Article in International journal of molecular sciences, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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Who cites it
6 citing papers in PubMed.
- UMAP-based clustering split for rigorous evaluation of AI models for virtual screening on cancer cell lines.Journal of cheminformatics · 2025Article
- Targets Involved in the Pharmacology of Bothrops Snakebite:Current drug targets · 2025Review
- Rational Approach to New Chemical Entities with Antiproliferative Activity on Ab1 Tyrosine Kinase Encoded by thePharmaceuticals (Basel, Switzerland) · 2024Article
- Graph neural networks are promising for phenotypic virtual screening on cancer cell lines.Biology methods & protocols · 2024Article
- In Vitro Cytotoxic Effects of Ferruginol Analogues in Sk-MEL28 Human Melanoma Cells.International journal of molecular sciences · 2023Article
- Design and Synthesis of Novel Thieno[3,2-ACS omega · 2023Article
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Authors and funding
9 authors.
Funding
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Abstract
In vitro antiproliferative assays still represent one of the most important tools in the anticancer drug discovery field, especially to gain insights into the mechanisms of action of anticancer small molecules. The NCI-DTP (National Cancer Institute Developmental Therapeutics Program) undoubtedly represents the most famous project aimed at rapidly testing thousands of compounds against multiple tumor cell lines (NCI60). The large amount of biological data stored in the National Cancer Institute (NCI) database and many other databases has led researchers in the fields of computational biology and medicinal chemistry to develop tools to predict the anticancer properties of new agents in advance. In this work, based on the available antiproliferative data collected by the NCI and the manipulation of molecular descriptors, we propose the new in silico Antiproliferative Activity Predictor (AAP) tool to calculate the GI
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