ReviewComputational and structural biotechnology journal2017
Matched Molecular Pair Analysis in Short: Algorithms, Applications and Limitations.
Review in Computational and structural biotechnology journal, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 29 papers.
What it found
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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.
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Who cites it
29 citing papers in PubMed.
- ChemBang: Expanding the Chemical Space Around Small Molecules.Molecular informatics · 2026Article
- MMP-9i Predictor v1.0: an integrative machine learning platform for predicting MMP-9 inhibitors using chemical space analysis and explainable models.Journal of computer-aided molecular design · 2026Article
- Structure-Aware Compound-Protein Affinity Prediction via Graph Neural Networks with Group Lasso Regularization.Computational and structural biotechnology journal · 2026Article
- New insights into translational research in Alzheimer's disease guided by artificial intelligence, computational and systems biology.Acta pharmaceutica Sinica. B · 2025Review
- Non-Nucleoside Lycorine-Based Analogs as Potential DENV/ZIKV NS5 Dual Inhibitors: Structure-Based Virtual Screening and Chemoinformatic Analysis.Metabolites · 2024Article
- Bridging Structure- and Ligand-Based Virtual Screening through Fragmented Interaction Fingerprint.ACS omega · 2024Article
- Identification of lysosomotropism using explainable machine learning and morphological profiling cell painting data.RSC medicinal chemistry · 2024Article
- OptADMET: a web-based tool for substructure modifications to improve ADMET properties of lead compounds.Nature protocols · 2024Review
- TargIDe: a machine-learning workflow for target identification of molecules with antibiofilm activity against Pseudomonas aeruginosa.Journal of computer-aided molecular design · 2023Article
- Predicting polypharmacy in half a million adults in the Iranian population: comparison of machine learning algorithms.BMC medical informatics and decision making · 2023Article
- A Perspective on Explanations of Molecular Prediction Models.Journal of chemical theory and computation · 2023Review
- Computer-aided multi-objective optimization in small molecule discovery.Patterns (New York, N.Y.) · 2023Review
- BIreactive: Expanding the Scope of Reactivity Predictions to Propynamides.Pharmaceuticals (Basel, Switzerland) · 2023Article
- Natural and Synthetic Xanthone Derivatives Counteract Oxidative Stress via Nrf2 Modulation in Inflamed Human Macrophages.International journal of molecular sciences · 2022Article
- Implications of Additivity and Nonadditivity for Machine Learning and Deep Learning Models in Drug Design.ACS omega · 2022Article
- Machine Learning Applications for Chemical Reactions.Chemistry, an Asian journal · 2022Review
- Transformer-based molecular optimization beyond matched molecular pairs.Journal of cheminformatics · 2022Article
- Application of Artificial Intelligence in Discovery and Development of Anticancer and Antidiabetic Therapeutic Agents.Evidence-based complementary and alternative medicine : eCAM · 2022Review
- Automatic Identification of Analogue Series from Large Compound Data Sets: Methods and Applications.Molecules (Basel, Switzerland) · 2021Review
- Interpretation of Ligand-Based Activity Cliff Prediction Models Using the Matched Molecular Pair Kernel.Molecules (Basel, Switzerland) · 2021Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Molecular matched pair (MMP) analysis has been used for more than 40 years within molecular design and is still an important tool to analyse potency data and other compound properties. The methods used to find matched pairs range from manual inspection, through supervised methods to unsupervised methods, which are able to find previously unknown molecular pairs. Recent publications demonstrate the value of automatic MMP analysis of publicly available bioactivity databases. The MMP concept has its limitations, but because of its easy to use and intuitive nature, it will remain one of the most important tools in the toolbox of many drug designers.
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.