Evidence map›Paper›PMID 40146590›Full record

ReviewMolecular informatics2025

Machine Learning in Drug Development for Neurological Diseases: A Review of Blood Brain Barrier Permeability Prediction Models.

Aryon Eckleel Nabi, Pedram Pouladvand, Litian Liu, Ning Hua, Cyrus Ayubcha

Abstract readReview
In one paragraph

Review in Molecular informatics, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.

0numbers the graph read from it
0cells of the map it votes in
13citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

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.

2 · The registry

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.

3 · Its place in the literature

Who cites it

13 citing papers in PubMed.

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4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

5 authors.

Aryon Eckleel NabiHarvard Medical School, Department of Epidemiology, Harvard T.H. Chan School of Public Health, Boston, MA, USA.
Pedram PouladvandDepartment of Epidemiology, Harvard Chan School of Public Health, Boston, MA, USA.
Litian LiuBoonshoft School of Medicine, Wright State University, Dayton, OH, USA.
Ning HuaDepartment of Electrical Engineering and Computer Science, Massachusetts Institute of Technology, Boston, MA, USA.
Cyrus AyubchaHarvard Medical School, Department of Epidemiology, Harvard T.H. Chan School of Public Health, Boston, MA, USA.ORCID https://orcid.org/0000-0001-8347-9173

Funding

Medical Scientist Training ProgramT32GM144273 · NIGMS · HARVARD MEDICAL SCHOOL · PI David Shumway Jones, Jacqueline A. Lees · 2022 to 2026
$14.7M
NIGMS NIH HHS T32 GM144273
6 · The paper itself

Abstract

The blood brain barrier (BBB) is an endothelial-derived structure which restricts the movement of certain molecules between the general somatic circulatory system to the central nervous system (CNS). While the BBB maintains homeostasis by regulating the molecular environment induced by cerebrovascular perfusion, it also presents significant challenges in developing therapeutics intended to act on CNS targets. Many drug development practices rely partly on extensive cell and animal models to predict, to an extent, whether prospective therapeutic molecules can cross the BBB. In interest to reduce costs and improve prediction accuracy, many propose using advanced computational modeling of BBB permeability profiles leveraging empirical data. Given the scale of growth in machine learning and deep learning, we review the most recent machine learning approaches in predicting BBB permeability.

Indexed as

Blood-Brain BarrierDrug DevelopmentMachine LearningNervous System DiseasesAnimalsHumansPermeabilityartificial neural network (ANN)blood brain barrier (BBB)central nervous system (CNS)deep learning (DL)deep neural network (DNN)extra-tree (EXT)extreme gradient boosting (XGBoost)fingerprints (FPs)in silico modelmachine learning (ML)molecular descriptor(s) (MDs)quantitative structure-activity relationship (QSAR) modelrandom forest (RF)recurrent neural network (RNN)simplified molecular line entry system (SMILES)support vector machine (SVM)

Identifiers

PMID40146590
PMCPMC11949286

What Socratic holds

Textmetadata
LicenceCC BY-NC
Read underepoch 390

Registered trials

None linked

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 Socratic graph.