A review on machine learning approaches and trends in drug discovery.
Comput Struct Biotechnol J
; 19: 4538-4558, 2021.
Article
en En
| MEDLINE
| ID: mdl-34471498
ADMET, Absorption, distribution, metabolism, elimination and toxicity; ADR, Adverse Drug Reaction; AI, Artificial Intelligence; ANN, Artificial Neural Networks; APFP, Atom Pairs 2d FingerPrint; AUC, Area under the Curve; BBB, BloodBrain barrier; CDK, Chemical Development Kit; CNN, Convolutional Neural Networks; CNS, Central Nervous System; CPI, Compound-protein interaction; CV, Cross Validation; Cheminformatics; DL, Deep Learning; DNA, Deoxyribonucleic acid; Deep Learning; Drug Discovery; ECFP, Extended Connectivity Fingerprints; FDA, Food and Drug Administration; FNN, Fully Connected Neural Networks; FP, Fringerprints; FS, Feature Selection; GCN, Graph Convolutional Networks; GEO, Gene Expression Omnibus; GNN, Graph Neural Networks; GO, Gene Ontology; KEGG, Kyoto Encyclopedia of Genes and Genomes; MACCS, Molecular ACCess System; MCC, Matthews correlation coefficient; MD, Molecular Descriptors; MKL, Multiple Kernel Learning; ML, Machine Learning; Machine Learning; Molecular Descriptors; NB, Naive Bayes; OOB, Out of Bag; PCA, Principal Component Analyisis; QSAR; QSAR, Quantitative structureactivity relationship; RF, Random Forest; RNA, Ribonucleic Acid; SMILES, simplified molecular-input line-entry system; SVM, Support Vector Machines; TCGA, The Cancer Genome Atlas; WHO, World Health Organization; t-SNE, t-Distributed Stochastic Neighbor Embedding
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1
Banco de datos:
MEDLINE
Tipo de estudio:
Prognostic_studies
Idioma:
En
Revista:
Comput Struct Biotechnol J
Año:
2021
Tipo del documento:
Article
País de afiliación:
España