Evidence mapPaperPMID 33295676Full record

ReviewMedicinal research reviews2021

Artificial intelligence and machine learning-aided drug discovery in central nervous system diseases: State-of-the-arts and future directions.

Sezen Vatansever, Avner Schlessinger, Daniel Wacker, H Ümit Kaniskan, Jian Jin, Ming-Ming Zhou, Bin Zhang

Open access · hybridAbstract readReview
In one paragraph

Review in Medicinal research reviews, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 143 papers, 3 of them syntheses that pooled it.

0numbers the graph read from it
0cells of the map it votes in
143citing papers in PubMed, 3 pooled it
16.5field-weighted citation impact, top 1% of its field
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

143 citing papers in PubMed, 3 syntheses or guidelines pooled it, 386 citations in OpenAlex.

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83 more citing papers are in PubMed but not listed here.

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

7 authors at 2 institutions in 1 country.

Sezen VatanseverDepartment of Genetics and Genomic Sciences, Icahn School of Medicine at Mount Sinai, New York, New York, USA.ORCID 0000-0002-2745-9618
Avner SchlessingerDepartment of Pharmacological Sciences, Icahn School of Medicine at Mount Sinai, New York, New York, USA.
Daniel WackerDepartment of Pharmacological Sciences, Icahn School of Medicine at Mount Sinai, New York, New York, USA.
H Ümit KaniskanDepartment of Pharmacological Sciences, Icahn School of Medicine at Mount Sinai, New York, New York, USA.
Jian JinDepartment of Pharmacological Sciences, Icahn School of Medicine at Mount Sinai, New York, New York, USA.
Ming-Ming ZhouDepartment of Pharmacological Sciences, Icahn School of Medicine at Mount Sinai, New York, New York, USA.
Bin ZhangDepartment of Genetics and Genomic Sciences, Icahn School of Medicine at Mount Sinai, New York, New York, USA.
Icahn School of Medicine at Mount Sinai · USTisch Hospital · US

Funding

Transcriptional Control of Neuroinflammation in Alzheimer's DiseaseR01AG072562 · ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI · 2025 to 2025
$827k
Structural Studies and Drug Discovery Illuminate Serotonin PharmacologyR35GM133504 · ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI · 2025 to 2025
$448k
NIAID NIH HHS R01 AI124465NIA NIH HHS R01 AG057907NIA NIH HHS R01 AG062355NIA NIH HHS R01 AG068030NIA NIH HHS R01 AG072562NIA NIH HHS RF1 AG054014NIA NIH HHS RF1 AG057440NIA NIH HHS RF1 AG059319NIA NIH HHS U01 AG046170NIA NIH HHS U01 AG052411NIA NIH HHS U01 AG058635NIGMS NIH HHS R35 GM133504
6 · The paper itself

Abstract

Neurological disorders significantly outnumber diseases in other therapeutic areas. However, developing drugs for central nervous system (CNS) disorders remains the most challenging area in drug discovery, accompanied with the long timelines and high attrition rates. With the rapid growth of biomedical data enabled by advanced experimental technologies, artificial intelligence (AI) and machine learning (ML) have emerged as an indispensable tool to draw meaningful insights and improve decision making in drug discovery. Thanks to the advancements in AI and ML algorithms, now the AI/ML-driven solutions have an unprecedented potential to accelerate the process of CNS drug discovery with better success rate. In this review, we comprehensively summarize AI/ML-powered pharmaceutical discovery efforts and their implementations in the CNS area. After introducing the AI/ML models as well as the conceptualization and data preparation, we outline the applications of AI/ML technologies to several key procedures in drug discovery, including target identification, compound screening, hit/lead generation and optimization, drug response and synergy prediction, de novo drug design, and drug repurposing. We review the current state-of-the-art of AI/ML-guided CNS drug discovery, focusing on blood-brain barrier permeability prediction and implementation into therapeutic discovery for neurological diseases. Finally, we discuss the major challenges and limitations of current approaches and possible future directions that may provide resolutions to these difficulties.

Indexed as

Artificial IntelligenceCentral Nervous System DiseasesAlgorithmsDrug DiscoveryHumansMachine LearningAlzheimer'sanesthesiaartificial intelligenceblood-brain barrierCNSdepressiondisease subtypingdrug designdrug discoverymachine learningneurological diseasespain treatmentParkinson'sschizophreniatarget identification

Identifiers

PMID33295676
PMCPMC8043990
OpenAlexW3112951420

What Socratic holds

Textmetadata
LicenceCC BY
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.