ReviewCurrent medicinal chemistry2024
Exploring Scoring Function Space: Developing Computational Models for Drug Discovery.
Review in Current medicinal chemistry, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 28 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.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
28 citing papers in PubMed.
- Multimodal foundation models in colorectal cancer: from prediction to trustworthy clinical insight.Briefings in bioinformatics · 2026Review
- Machine Learning to Predict CDK4 Inhibition.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Neural Networks with Molegro Data Modeller.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Targeting CDK9 with Molegro Virtual Docker.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Differential Evolution for Docking Simulations.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Molegro Data Modeller to Estimate CDK6 Inhibition.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Tree-Based Methods to Predict Enzyme Inhibition.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Neural Networks to Calculate CDK2 Inhibition.Methods in molecular biology (Clifton, N.J.) · 2026Article
- CDK7 as a Target for Docking Screens.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Molegro Virtual Docker for Docking Screens.Methods in molecular biology (Clifton, N.J.) · 2026Article
- A Primer on SAnDReS 2.0 for Scoring Function Design.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Gradient Descent to Predict Enzyme Inhibition.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Elastic Net Regression to Predict CDK2 Inhibition.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Hands-On Docking with Molegro Virtual Docker.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Exploring the Scoring Function Space with Lasso Regression.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Calculating Enzyme Inhibition with Random Forests.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Combining MVD and Ridge Method to Predict CDK2 Inhibition.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Molegro Data Modeller for Machine Learning.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Extremely Randomized Trees to Determine Binding Affinity.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Decision Tree for Prediction of Binding Affinity.Methods in molecular biology (Clifton, N.J.) · 2026Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
7 authors.
Funding
Abstract
backgroundThe idea of scoring function space established a systems-level approach to address the development of models to predict the affinity of drug molecules by those interested in drug discovery.
objectiveOur goal here is to review the concept of scoring function space and how to explore it to develop machine learning models to address protein-ligand binding affinity.
methodsWe searched the articles available in PubMed related to the scoring function space. We also utilized crystallographic structures found in the protein data bank (PDB) to represent the protein space.
resultsThe application of systems-level approaches to address receptor-drug interactions allows us to have a holistic view of the process of drug discovery. The scoring function space adds flexibility to the process since it makes it possible to see drug discovery as a relationship involving mathematical spaces.
conclusionThe application of the concept of scoring function space has provided us with an integrated view of drug discovery methods. This concept is useful during drug discovery, where we see the process as a computational search of the scoring function space to find an adequate model to predict receptor-drug binding affinity.
Indexed as
Identifiers
36944627What 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.