ArticlePloS one2018
CLC-Pred: A freely available web-service for in silico prediction of human cell line cytotoxicity for drug-like compounds.
Article in PloS one, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 72 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
72 citing papers in PubMed.
- Synthesis of Some Oxime Derivatives as Novel Elastase Inhibitors: Molecular Dynamics Studies and Computational Insight.Chemistry & biodiversity · 2026Article
- CLC-Pred Synergy: Web Application for Predicting Pairwise Drug Combinations with Synergistic Activity Against NCI60 Cancer Cell Lines.International journal of molecular sciences · 2026Article
- Rational Design of Novel Inhibitors: Integrating 3D-QSAR and Molecular Dynamics.BioMed research international · 2026Article
- Phytochemical and Computational Discovery of Potent Xanthine Oxidase Inhibitors From Ziziphus lotus L. Leaves and Seeds.Chemistry & biodiversity · 2026Article
- Deciphering Mutational Impacts on c-Src-HK2 Interaction in Colorectal Cancer Progression, and Identification of Potential Phytocompounds Inhibitors: A Molecular Simulation and Free Energy Calculation Approach.Current medicinal chemistry · 2026Article
- QSAR Modeling for Predicting ICInternational journal of molecular sciences · 2025Article
- Computational and pharmacophore-based study of Camellia sinensis phytochemicals targeting BRAF in melanoma.Scientific reports · 2025Article
- Cytotoxic Activity of Opopanax hispidus (Friv.) Griseb.: Characterization of a New Chalcone-type Compound.Chemistry & biodiversity · 2025Article
- Supramolecular assembly of novel achatin structurally similar peptide as potential G protein-coupled receptors anticancer ligands: focus on its pseudo-macrocycle nature.Royal Society open science · 2025Article
- Functionalized Indolizines as Potential Anticancer Agents: Synthetic, Biological and In Silico Investigations.International journal of molecular sciences · 2025Article
- Identification of Potential Pteridin Reductase-1 Inhibitors for the Treatment of Leishmaniasis: A Bioinformatics Approach.Pharmaceuticals (Basel, Switzerland) · 2025Article
- Synthesis of Novel Tetra-Substituted Pyrazole Derivatives Using Microwave Irradiation and Their Anti-Leukemic Activity Against Jurkat Cells.Molecules (Basel, Switzerland) · 2025Article
- Cytotoxic Effects ofACS omega · 2025Article
- Pharmacological Significance, Medicinal Use, and Toxicity of Extracted and Isolated Compounds fromPlants (Basel, Switzerland) · 2025Review
- Anticancer Potential of Azatetracyclic Derivatives: In Vitro Screening and Selective Cytotoxicity of Azide and Monobrominated Compounds.Molecules (Basel, Switzerland) · 2025Article
- Investigating the potent TOPO IIα inhibitors in breast cancer through the study of computational drug discovery research approaches.Molecular diversity · 2025Article
- Article
- Chloride and Acetonitrile Ruthenium(IV) Complexes: Crystal Architecture, Chemical Characterization, Antibiofilm Activity, and Bioavailability in Biological Systems.Molecules (Basel, Switzerland) · 2025Article
- Molecular docking andToxicology reports · 2024Article
- In Silico Evaluation of Some Computer-Designed Fluoroquinolone-Glutamic Acid Hybrids as Potential Topoisomerase II Inhibitors with Anti-Cancer Effect.Pharmaceuticals (Basel, Switzerland) · 2024Article
12 more citing papers are in PubMed but not listed here.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
9 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
In silico methods of phenotypic screening are necessary to reduce the time and cost of the experimental in vivo screening of anticancer agents through dozens of millions of natural and synthetic chemical compounds. We used the previously developed PASS (Prediction of Activity Spectra for Substances) algorithm to create and validate the classification SAR models for predicting the cytotoxicity of chemicals against different types of human cell lines using ChEMBL experimental data. A training set from 59,882 structures of compounds was created based on the experimental data (IG50, IC50, and % inhibition values) from ChEMBL. The average accuracy of prediction (AUC) calculated by leave-one-out and a 20-fold cross-validation procedure during the training was 0.930 and 0.927 for 278 cancer cell lines, respectively, and 0.948 and 0.947 for cytotoxicity prediction for 27 normal cell lines, respectively. Using the given SAR models, we developed a freely available web-service for cell-line cytotoxicity profile prediction (CLC-Pred: Cell-Line Cytotoxicity Predictor) based on the following structural formula: http://way2drug.com/Cell-line/.
Indexed as
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.