AIMC Topic: Receptors, Dopamine D2

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Analysis of Training and Seed Bias in Small Molecules Generated with a Conditional Graph-Based Variational Autoencoder─Insights for Practical AI-Driven Molecule Generation.

Journal of chemical information and modeling Feb 7, 2022
The application of deep learning to generative molecule design has shown early promise for accelerating lead series development. However, questions remain concerning how factors like training, data set, and seed bias impact the technology's utility t...
Models, Molecular Receptors, Dopamine D2 Artificial Intelligence
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Automated design and optimization of multitarget schizophrenia drug candidates by deep learning.

European journal of medicinal chemistry Jul 12, 2020
Complex neuropsychiatric diseases such as schizophrenia require drugs that can target multiple G protein-coupled receptors (GPCRs) to modulate complex neuropsychiatric functions. Here, we report an automated system comprising a deep recurrent neural ...
Receptor, Serotonin, 5-HT1A Schizophrenia Automation Receptor, Serotonin, 5-HT2A Molecular Targeted Therapy Receptors, Dopamine D2 Drug Discovery Deep Learning Mice Animals
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Perturbation Theory/Machine Learning Model of ChEMBL Data for Dopamine Targets: Docking, Synthesis, and Assay of New l-Prolyl-l-leucyl-glycinamide Peptidomimetics.

ACS chemical neuroscience Jun 25, 2018
Predicting drug-protein interactions (DPIs) for target proteins involved in dopamine pathways is a very important goal in medicinal chemistry. We can tackle this problem using Molecular Docking or Machine Learning (ML) models for one specific protein...
MSH Release-Inhibiting Hormone Humans Neural Networks, Computer Nonlinear Dynamics Peptidomimetics Machine Learning Databases, Chemical Molecular Docking Simulation Receptors, Dopamine D2 Software Dopamine Allosteric Regulation Deep Learning Models, Molecular
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Visualization and Interpretation of Support Vector Machine Activity Predictions.

Journal of chemical information and modeling Jun 2, 2015
Support vector machines (SVMs) are among the preferred machine learning algorithms for virtual compound screening and activity prediction because of their frequently observed high performance levels. However, a well-known conundrum of SVMs (and other...
Protein Kinase Inhibitors Receptors, Dopamine D2 Mitogen-Activated Protein Kinase 14 Receptor, Cannabinoid, CB2 Drug Evaluation, Preclinical Ligands Linear Models Algorithms Humans Support Vector Machine Software
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Big data-driven target identification by machine learning: DRD2 as a therapeutic target for psoriasis.

Journal of dermatological science Jul 1, 2025
BACKGROUND: The development of medical treatments has traditionally relied on researchers leveraging scientific knowledge to hypothesize disease mechanisms and identify therapeutic agents. However, the depletion of novel therapeutic targets has becom...
Interleukin-17 Mice Disease Models, Animal Drug Discovery Big Data Molecular Targeted Therapy Dopamine Agonists Receptors, Dopamine D2 Psoriasis Skin Imiquimod Humans Machine Learning Tumor Necrosis Factor-alpha Animals
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Decoding the Structure-Activity Relationship of the Dopamine D3 Receptor-Selective Ligands Using Machine and Deep Learning Approaches.

Journal of chemical information and modeling Jun 9, 2025
Dysfunctions of the dopamine D2 and D3 receptors (D2 and D3) are implicated in neuropsychiatric conditions such as Parkinson's disease, schizophrenia, and substance use disorders (SUDs). Evidence indicates that D3-selective ligands can effectively mo...
Receptors, Dopamine D2 Receptors, Dopamine D3 Humans Deep Learning Machine Learning Ligands Quantitative Structure-Activity Relationship
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PROFIS: Design of Target-Focused Libraries by Probing Continuous Fingerprint Space with Recurrent Neural Networks.

Journal of chemical information and modeling May 12, 2025
This study introduces PROFIS, a new generative model capable of the design of structurally novel and target-focused compound libraries. The model relies on a recurrent neural network that was trained to decode embedded molecular fingerprints into SMI...
Neural Networks, Computer Small Molecule Libraries Receptors, Dopamine D2 Recurrent Neural Networks Drug Design Bayes Theorem Ligands
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Threshold of Dopamine D2/3 Receptor Occupancy for Hyperprolactinemia in Older Patients With Schizophrenia.

The Journal of clinical psychiatry Dec 1, 2016
OBJECTIVE: Although hyperprolactinemia carries a long-term risk of morbidity, the threshold of dopamine D2/3 receptor (D2/3R) occupancy for hyperprolactinemia has not been investigated in older patients with schizophrenia. Data were taken from a posi...
Corpus Striatum Middle Aged Risperidone Hyperprolactinemia Prolactin Raclopride Aged Dopamine Antagonists Schizophrenia Olanzapine Aged, 80 and over Receptors, Dopamine D2 Humans Benzodiazepines Male Receptors, Dopamine D3 Female Positron-Emission Tomography Antipsychotic Agents
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