Artificial intelligence and machine learning-aided drug discovery in central nervous system diseases: State-of-the-arts and future directions
Vatansever, Sezen, Schlessinger, Avner, Wacker, Daniel, Kaniskan, H. Ümit, Jin, Jian, Zhou, Ming‐Ming, Zhang, Bin·2021·Medicinal Research Reviews
Cites (473)
Items 401–471 of 471
- Identifying novel factor XIIa inhibitors with PCA-GA-SVM developed vHTS modelsJonathan Jun Feng Chen, Donald P. Visco · 2017 · European Journal of Medicinal Chemistry
- Computer-aided design of novel antibacterial 3-hydroxypyridine-4-ones: application of QSAR methods based on the MOLMAP approachRazieh Sabet, Afshin Fassihi, Bahram Hemmateenejad, Lotfollah Saghaei, Ramin Miri, Maryam Gholami · 2012 · Journal of Computer-Aided Molecular Design
- A rotation-translation invariant molecular descriptor of partial charges and its use in ligand-based virtual screeningFrancois Berenger, Arnout R. D. Voet, Xiao Yin Lee, Kam Y. J. Zhang · 2014 · Journal of Cheminformatics
- Computational systems biology approaches for Parkinson’s diseaseEnrico Glaab · 2017 · Cell and Tissue Research
- Functional ultrasound imaging to study brain dynamics: Application of pharmaco-fUS to atomoxetineBenjamin Vidal, Marine Droguerre, Ludovic Venet, Luc Zimmer, Marco Valdebenito, Franck Mouthon, Mathieu Charvériat · 2020 · Neuropharmacology
- Predicting adverse drug reactions of two‐drug combinations using structural and transcriptomic drug representations to train an artificial neural networkSusmitha Shankar, Ishita Bhandari, David T. Okou, Gowri Srinivasa, Prashanth Athri · 2020 · Chemical Biology & Drug Design
- The perilous path from publication to practiceAdam Mourad Chekroud, Nikolaos Koutsouleris · 2017 · Molecular Psychiatry
- Drug repurposing with network reinforcementYonghyun Nam, Myung-Jun Kim, Hang‐Seok Chang, Hyunjung Shin · 2019 · BMC Bioinformatics
- An Automated Algorithm Incorporating Poincaré Analysis Can Quantify the Severity of Opioid-Induced Ataxic BreathingSean C. Ermer, Robert J. Farney, Ken B. Johnson, Joseph A. Orr, Talmage D. Egan, Lara Brewer · 2020 · Anesthesia & Analgesia
- Automatic assessment of medication states of patients with Parkinson's disease using wearable sensorsMurtadha D. Hssayeni, Michelle A. Burack, Behnaz Ghoraani · 2016
- Prediction of N-Methyl-D-Aspartate Receptor GluN1-Ligand Binding Affinity by a Novel SVM-Pose/SVM-Score Combinatorial Ensemble Docking SchemeMax K. Leong, Ren-Guei Syu, Yi-Lung Ding, Ching‐Feng Weng · 2017 · Scientific Reports
- Pharmaco-fUS for Characterizing Drugs for Alzheimer’s Disease – The Case of THN201, a Drug Combination of Donepezil Plus MefloquineBenjamin Vidal, Marine Droguerre, Marco Valdebenito, Luc Zimmer, M. Hamon, Franck Mouthon, Mathieu Charvériat · 2020 · Frontiers in Neuroscience
- Prediction of drug synergy in cancer using ensemble-based machine learning techniquesHarpreet Singh, Prashant Singh Rana, Urvinder Singh · 2018 · Modern Physics Letters B
- Potential identification of vitamin B6 responsiveness in autism spectrum disorder utilizing phenotype variables and machine learning methodsTaku Obara, Mami Ishikuro, Gen Tamiya, Masao Ueki, Chizuru Yamanaka, Satoshi Mizuno, Masahiro Kikuya, Hirohito Metoki, Hiroko Matsubara, Masato Nagai et al. · 2018 · Scientific Reports
- Chemogenomic Analysis of the Druggable Kinome and Its Application to Repositioning and Lead Identification StudiesBalaguru Ravikumar, Sanna H. Timonen, Zaid Alam, Elina Parri, Krister Wennerberg, Tero A. Aittokallio · 2019 · Cell chemical biology
- Analysis of defective pathways and drug repositioning in Multiple Sclerosis via machine learning approachesEnrique J. deAndrés‐Galiana, Guillermina Bea, Juan Luis Fernández‐Martínez, Leorey N. Saligan · 2019 · Computers in Biology and Medicine
- Predicting Deep Hypnotic State From Sleep Brain Rhythms Using Deep Learning: A Data-Repurposing ApproachSunil Belur Nagaraj, Sowmya Muchukunte Ramaswamy, Maud A. S. Weerink, Michel M. R. F. Struys · 2020 · Anesthesia & Analgesia
- FDA approves galantamine for Alzheimer’s diseaseCheryl A. Thompson · 2001 · American Journal of Health-System Pharmacy
- QSAR Accelerated Discovery of Potent Ice Recrystallization InhibitorsJennie G. Briard, Michael Fernández, Phil De Luna, Tom K. Woo, Robert N. Ben · 2016 · Scientific Reports
- QSAR Modelling to Identify LRRK2 Inhibitors for Parkinson’s DiseaseVíctor Sebastián-Pérez, María Jimena Martínez, Carmen Gil, Nuria Eugenia Campillo, Ana Martı́nez, Ignacio Ponzoni · 2019 · Berichte aus der medizinischen Informatik und Bioinformatik/Journal of integrative bioinformatics
- Integrating Clinical Data and Imputed Transcriptome from GWAS to Uncover Complex Disease Subtypes: Applications in Psychiatry and CardiologyLiangying Yin, Carlos Kwan‐Long Chau, Pak Chung Sham, Hon‐Cheong So · 2019 · The American Journal of Human Genetics
- Comprehensive Exploration of Target‐specific Ligands Using a Graph Convolution Neural NetworkYu Miyazaki, Naoaki Ono, Ming Huang, Md. Altaf‐Ul‐Amin, Shigehiko Kanaya · 2019 · Molecular Informatics
- Virtual Screening of CB 2 Receptor Agonists from Bayesian Network and High‐Throughput Docking: Structural Insights into Agonist‐Modulated GPCR FeaturesNicolas Renault, Xavier Laurent, Amaury Farce, Jamal El Bakali, Roxane M. Mansouri, Philippe P. Gervois, Régis Millet, Pierre Desreumaux, Christophe Furman, Philippe Chavatte · 2012 · Chemical Biology & Drug Design
- Machine Learning Scoring Functions Based on Random Forest and Support Vector RegressionPedro J. Ballester · 2012 · Lecture notes in computer science
- Fingerprint Design And Engineering Strategies: Rationalizing And Improving Similarity Search PerformanceKathrin Heikamp, Jürgen Bajorath · 2012 · Future Medicinal Chemistry
- Prediction and Optimization of NaV1.7 Sodium Channel Inhibitors Based on Machine Learning and Simulated AnnealingWeikaixin Kong, Xinyu Tu, Weiran Huang, Yang Yang, Zhengwei Xie, Zhuo Huang · 2020 · Journal of Chemical Information and Modeling
- EEG Beta-Band Spectral Entropy Can Predict the Effect of Drug Treatment on Pain in Patients With Herpes ZosterMengying Wei, Yuliang Liao, Jia Liu, Linling Li, Gan Huang, Jiabin Huang, Disen Li, Lizu Xiao, Zhiguo Zhang · 2020 · Journal of Clinical Neurophysiology
- Combinatorial Library Enumeration and Lead Hopping using Comparative Interaction Fingerprint Analysis and Classical 2D QSAR Methods for Seeking Novel GABAA α3 ModulatorsRamachandran Vijayan, Indrani Bera, Prabu Manoharan, Sangita Saha, Nanda Ghoshal · 2009 · Journal of Chemical Information and Modeling
- AlzhCPI: A knowledge base for predicting chemical-protein interactions towards Alzheimer’s diseaseJiansong Fang, Ling Wang, Yecheng Li, Wenwen Lian, Xiaocong Pang, Hong Wang, Dongsheng Yuan, Qi Wang, Ailin Liu, Guanhua Du · 2017 · PLoS ONE
- Synergistic drug combinations prediction by integrating pharmacological dataZhang Cheng-zhi, Guiying Yan · 2019 · Synthetic and Systems Biotechnology
- Neural networks for protein structure and function prediction and dynamic analysisYuko Tsuchiya, Kentaro Tomii · 2020 · Biophysical Reviews
- Discovering Molecular Functional Groups Using Graph Convolutional Neural NetworksPope, Phillip, Soheil Kolouri, Rostrami, Mohammad, Charles E. Martin, Heiko Hoffmann · 2018 · arXiv (Cornell University)
- Finding Needles in a Haystack: Determining Key Molecular Descriptors Associated with the Blood‐brain Barrier Entry of Chemical Compounds Using Machine LearningSubhabrata Majumdar, Subhash C. Basak, Claudiu Nicolae Lungu, Mircea Vasile Diudea, Gregory D. Grunwald · 2019 · Molecular Informatics
- Identification of novel class I and class IIb histone deacetylase inhibitor for Alzheimer's disease therapeuticsRohan V. Gupta, Rashmi K. Ambasta, Pravir Kumar · 2020 · Life Sciences
- In SilicoInvestigation of Traditional Chinese Medicine Compounds to Inhibit Human Histone Deacetylase 2 for Patients with Alzheimer’s DiseaseTzu-Chieh Hung, Wen‐Yuan Lee, Kuen‐Bao Chen, Yueh-Chiu Chan, Cheng-Chun Lee, Calvin Yu‐Chian Chen · 2014 · BioMed Research International
- Relation path feature embedding based convolutional neural network method for drug discoveryDi Zhao, Jian Wang, Shengtian Sang, Hongfei Lin, Jiabin Wen, Chunmei Yang · 2019 · BMC Medical Informatics and Decision Making
- Old drug repositioning and new drug discovery through similarity learning from drug-target joint feature spacesYi Zheng, Hui Peng, Xiaocai Zhang, Zhixun Zhao, Xiaoying Gao, Jinyan Li · 2019 · BMC Bioinformatics
- Classification of Opioid Usage Through Semi-Supervised Learning for Total Joint Replacement PatientsSujee Lee, Shujing Wei, Veronica M. White, Philip A. Bain, Christine Baker, Jingshan Li · 2020 · IEEE Journal of Biomedical and Health Informatics
- Ligand-based virtual screen for the discovery of novel M5 inhibitor chemotypesAlexander R. Geanes, Hykeyung P. Cho, Kellie D. Nance, Kevin M. McGowan, Peter Jeffrey Conn, Carrie K. Jones, Jens Meiler, Craig W. Lindsley · 2016 · Bioorganic & Medicinal Chemistry Letters
- Improving virtual screening predictive accuracy of Human kallikrein 5 inhibitors using machine learning modelsX. M. Fang, Sikha S. Bagui, Subhash Bagui · 2017 · Computational Biology and Chemistry
- Genome-wide prediction and prioritization of human aging genes by data fusion: a machine learning approachMasoud Arabfard, Mina Ohadi, Vahid Rezaei Tabar, Ahmad Delbari, Kaveh Kavousi · 2019 · BMC Genomics
- Systems biology-based approaches to summarize and identify novel genes and pathways associated with acute and chronic postsurgical painVidya Chidambaran, Maria E. Ashton, Lisa Joy Martin, Anil Goud Jegga · 2020 · Journal of Clinical Anesthesia
- Boosting Drug Discovery for Parkinson’s: Enhancement of the Delivery of a Monoamine Oxidase-B Inhibitor by Brain-Targeted PEGylated Polycaprolactone-Based NanoparticlesMiguel Pinto, Carlos Fernandes, Eva Gil-Martins, Renata Silva, Sofia Benfeito, Fernando Cagide, Ricardo F. Mendes, Filipe A. Almeida Paz, Jorge Garrido, Fernando Remião et al. · 2019 · Pharmaceutics
- Multimodale Erkennung von Schmerzintensität und -modalität mit maschinellen LernverfahrenSteffen Walter, Ayoub K. Al-Hamadi, Sascha Gruss, Stephan Frisch, H. C. Traue, Philipp Werner · 2020 · Der Schmerz
- Reducing Opioid Prescriptions by Identifying Responders on Topical Analgesic Treatment Using an Individualized Medicine and Predictive Analytics ApproachJeffrey A. Gudin, Seferina P. Mavroudi, Aigli Korfiati, Konstantinos Theofilatos, Derek T. Dietze, Peter L Hurwitz · 2020 · Journal of Pain Research
- Structure‐Based Target‐Specific Screening Leads to Small‐Molecule CaMKII InhibitorsDavid Daqiang Xu, Liwei Li, Donghui Zhou, Degang Liu, Andy Hudmon, Samy O. Meroueh · 2017 · ChemMedChem
- Neural Network Modeling of AChE Inhibition by New Carbazole-Bearing OxazolonesLevent Çavaş, Gamze Topcam, Cevher Gündoğdu Hızlıateş̨, Yavuz Ergün · 2017 · Interdisciplinary Sciences Computational Life Sciences
- Effects of lactate on the early visual cortex of non-human primates, investigated by pharmaco-MRI and neurochemical analysisVeronika von Pföstl, Juan Li, Daniel Zaldivar, Jozien B. M. Goense, Xiaozhe Zhang, Nadine Serr, Nikos K. Logothetis, Alexander Rauch · 2012 · NeuroImage
- Atom Type Preferences, Structural Diversity, and Property Profiles of Known Drugs, Leads, and Nondrugs: A Comparative AssessmentVellarkad N. Viswanadhan, Hariharan Rajesh, Vitukudi N. Balaji · 2011 · ACS Combinatorial Science
- Multi-targeting Drug Community ChallengeAvner Schlessinger, Ruben A Abagyan, Heather A. Carlson, Kristen K. Dang, Justin Guinney, Ross Leigh Cagan · 2017 · Cell chemical biology
- PLATYPUS: A Multiple—View Learning Predictive Framework for Cancer Drug Sensitivity PredictionKiley S. Graim, Verena Friedl, Kathleen E. Houlahan, Joshua M. Stuart · 2018 · Pacific Symposium on Biocomputing (PSB)
- Artificial neural network modeling of antimycobacterial chemical space to introduce efficient descriptors employed for drug designSoroush Sardari, H H Kohanzad, Ghazaleh Ghavami · 2013 · Chemometrics and Intelligent Laboratory Systems
- A Random Forest Model to Predict the Activity of a Large Set of Soluble Epoxide Hydrolase Inhibitors Solely Based on a Set of Simple Fragmental DescriptorsJamal Shamsara · 2019 · Combinatorial Chemistry & High Throughput Screening
- Robotic anesthesia - a vision for the future of anesthesia.Thomas M. Hemmerling, Riccardo Taddei, Mohamad Wehbe, Joshua Morse, Shantale Cyr, Cédrick Zaouter · 2011 · Europe PMC (PubMed Central)
- Drug Targets, Target Identification, Validation, and ScreeningWalter M.M. Van den Broeck · 2015 · Elsevier eBooks
- Model-based optimization approaches for precision medicine: A case study in presynaptic dopamine overactivityKai-Cheng Hsu, Feng‐Sheng Wang · 2017 · PLoS ONE
- Inferring Drug-Related Diseases Based on Convolutional Neural Network and Gated Recurrent UnitPing Xuan, Lianfeng Zhao, Tiangang Zhang, Yilin Ye, Yan Zhang · 2019 · Molecules
- Crowdsourced mapping extends the target space of kinase inhibitorsAnna Cichońska, Balaguru Ravikumar, Robert J. Allaway, Sung‐Joon Park, Fang Wan, Olexandr Isayev, Shuya Li, Mike J. Mason, Andrew E. Lamb, Ziaurrehman Tanoli et al. · 2020 · bioRxiv (Cold Spring Harbor Laboratory)
- Developing a Multi-target Model to Predict the Activity of Monoamine Oxidase A and B DrugsRiccardo Concu, Michael González‐Durruthy, M. Natália D. S. Cordeiro · 2020 · Current Topics in Medicinal Chemistry
- Improved tracking of sevoflurane anesthetic states with drug-specific machine learning modelsKimia Kashkooli, Sam L. Polk, Eunice Y. Hahm, James M. Murphy, Breanna R. Ethridge, Jacob Gitlin, Reine Ibala, Jennifer Mekonnen, Juan Cristóbal Pedemonte, Haoqi Sun et al. · 2020 · Journal of Neural Engineering
- Insights into Pharmacotherapy Management for Parkinson's Disease Patients Using Wearables Activity DataVincent Grigori Nguyen, Kunz Holger, Paul M. Taylor, Dionisio Acosta · 2018 · Studies in health technology and informatics
- G2P: Using machine learning to understand and predict genes causing rare neurological disordersJuan Antonio Botía, Sebastian Guelfi, David Zhang, Karishma D’Sa, Regina Hertfelder Reynolds, Daniel F. O. Onah, Ellen M. McDonagh, Antonio Rueda Martin, Arianna Tucci, Augusto Rendon et al. · 2018 · bioRxiv (Cold Spring Harbor Laboratory)
- Predicting protein structural features with artificial neural networksStephen R. Holbrook, Steven M. Muskal, Sung‐Hou Kim · 1993 · American Association for Artificial Intelligence eBooks
- Prediction of anti-cancer drug response by kernelized multi-task learningMehmet Tan · 2017
- Predicting alternatively spliced exons using semi-supervised learningAna Stanescu, Karthik Tangirala, Doina Caragea · 2015 · International Journal of Data Mining and Bioinformatics
- Detecting the Potential Pharmacological Synergy of Drug Combination by Viability Assays In VitroBenjamin K. Gibbs, Carole Sourbier · 2017 · Methods in molecular biology
- Pain-CKB, A Pain-Domain-Specific Chemogenomics Knowledgebase for Target Identification and Systems Pharmacology ResearchZhiwei Feng, Maozi Chen, Mingzhe Shen, Tianjian Liang, Hui Chen, Xiang‐Qun Xie · 2020 · Journal of Chemical Information and Modeling
- Prediction of permeability of drug-like compounds across polydimethylsiloxane membranes by machine learning methodsBasheerulla Shaik, Rachna Gupta, Bruno Louis, Vijay K. Agrawal · 2015 · Journal of Pharmaceutical Investigation
- Guest editorial: Special issue on machine learning in schizophreniaM. Mallar Chakravarty · 2019 · Schizophrenia Research
- Extraction of Protein Dynamics Information Hidden in Cryogenic Electron Microscopy Maps Using Deep LearningShigeyuki Matsumoto, Shoichi Ishida, Mitsugu Araki, Takayuki Kato, Kei Terayama, Yasushi Okuno · 2020 · bioRxiv (Cold Spring Harbor Laboratory)
- Science unfolding in time: a situated protein folding landscape in retrospectAlexander Powell · 2019