ArticleMolecules (Basel, Switzerland)2015
Prediction of placental barrier permeability: a model based on partial least squares variable selection procedure.
Article in Molecules (Basel, Switzerland), 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 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
16 citing papers in PubMed.
- Augmented and Programmatically Optimized LLM Prompts Reduce Chemical Hallucinations.Journal of chemical information and modeling · 2025Article
- Organic Sunscreens and Their Products of Degradation in Biotic and Abiotic Conditions-In Silico Studies of Drug-Likeness and Human Placental Transport.International journal of molecular sciences · 2024Article
- QSAR Regression Models for Predicting HMG-CoA Reductase Inhibition.Pharmaceuticals (Basel, Switzerland) · 2024Article
- Monte Carlo Optimization Method Based QSAR Modeling of Placental Barrier Permeability.Pharmaceutical research · 2024Article
- Contribution of Reliable Chromatographic Data in QSAR for Modelling Bisphenol Transport across the Human Placenta Barrier.Molecules (Basel, Switzerland) · 2023Article
- Human-Based New Approach Methodologies in Developmental Toxicity Testing: A Step Ahead from the State of the Art with a Feto-Placental Organ-on-Chip Platform.International journal of environmental research and public health · 2022Review
- Affinity of Compounds for Phosphatydylcholine-Based Immobilized Artificial Membrane-A Measure of Their Bioconcentration in Aquatic Organisms.Membranes · 2022Article
- Ensemble learning for predicting ex vivo human placental barrier permeability.BMC bioinformatics · 2022Article
- Partial Least Squares Enhances Genomic Prediction of New Environments.Frontiers in genetics · 2022Article
- The Role of the 3Rs for Understanding and Modeling the Human Placenta.Journal of clinical medicine · 2021Review
- A Machine Learning Model to Predict Drug Transfer Across the Human Placenta Barrier.Frontiers in chemistry · 2021Article
- Partial Least Square Model (PLS) as a Tool to Predict the Diffusion of Steroids Across Artificial Membranes.Molecules (Basel, Switzerland) · 2020Article
- Article
- Use of QSAR Global Models and Molecular Docking for Developing New Inhibitors of c-src Tyrosine Kinase.International journal of molecular sciences · 2019Article
- Theoretical Studies of Intracellular Concentration of Micro-organisms' Metabolites.Scientific reports · 2017Article
- Risk of prenatal depression and stress treatment: alteration on serotonin system of offspring through exposure to Fluoxetine.Scientific reports · 2016Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Assessing the human placental barrier permeability of drugs is very important to guarantee drug safety during pregnancy. Quantitative structure-activity relationship (QSAR) method was used as an effective assessing tool for the placental transfer study of drugs, while in vitro human placental perfusion is the most widely used method. In this study, the partial least squares (PLS) variable selection and modeling procedure was used to pick out optimal descriptors from a pool of 620 descriptors of 65 compounds and to simultaneously develop a QSAR model between the descriptors and the placental barrier permeability expressed by the clearance indices (CI). The model was subjected to internal validation by cross-validation and y-randomization and to external validation by predicting CI values of 19 compounds. It was shown that the model developed is robust and has a good predictive potential (r2=0.9064, RMSE=0.09, q2=0.7323, rp2=0.7656, RMSP=0.14). The mechanistic interpretation of the final model was given by the high variable importance in projection values of descriptors. Using PLS procedure, we can rapidly and effectively select optimal descriptors and thus construct a model with good stability and predictability. This analysis can provide an effective tool for the high-throughput screening of the placental barrier permeability of drugs.
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.