ReviewJournal of chemical information and modeling2022
Improving
Review in Journal of chemical information and modeling, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 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
9 citing papers in PubMed.
- Fast and Accurate Prediction of Tautomer Ratios in Aqueous Solution via a Siamese Neural Network.Journal of chemical theory and computation · 2025Article
- AI meets physics in computational structure-based drug discovery for GPCRs.npj drug discovery · 2025Review
- Interpreting forces as deep learning gradients improves quality of predicted protein structures.Biophysical journal · 2024Article
- Leveraging bounded datapoints to classify molecular potency improvements.RSC medicinal chemistry · 2024Article
- Integrating QSAR modelling and deep learning in drug discovery: the emergence of deep QSAR.Nature reviews. Drug discovery · 2024Review
- Finding the most potent compounds using active learning on molecular pairs.Beilstein journal of organic chemistry · 2024Article
- DeepDelta: predicting ADMET improvements of molecular derivatives with deep learning.Journal of cheminformatics · 2023Article
- The rise of automated curiosity-driven discoveries in chemistry.Chemical science · 2023Review
- Scoring Functions for Protein-Ligand Binding Affinity Prediction using Structure-Based Deep Learning: A Review.Frontiers in bioinformatics · 2022Article
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
Abstract
The lead optimization phase of drug discovery refines an initial hit molecule for desired properties, especially potency. Synthesis and experimental testing of the small perturbations during this refinement can be quite costly and time-consuming. Relative binding free energy (RBFE, also referred to as
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.