المؤلفون: Anush Karampuri, Shyam Perugu

المصدر: Frontiers in Bioinformatics, Vol 3 (2024)

مصطلحات موضوعية: breast cancer, QSAR (quantitative structure-activity relationship), GDSC2, machine learning, regression, Computer applications to medicine. Medical informatics, R858-859.7

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fbinf.2023.1328262/full; https://doaj.org/toc/2673-7647

URL الوصول: https://doaj.org/article/01777ca222b346888f3b67b119d84daa

المؤلفون: Kolev, Mikhail K., Tadjer, Alia V., Velkov, Zhivko A.

المصدر: 2008 Conference on Human System Interactions Human System Interactions, 2008 Conference on. :557-559 May, 2008

Relation: 2008 Conference on Human System Interactions (HSI)

المؤلفون: Jianbo Sun, Hui Zhong, Li Chen, Na Li, Kun Wang

المصدر: Acta Pharmaceutica Sinica. B
Acta Pharmaceutica Sinica B, Vol 11, Iss 11, Pp 3417-3432 (2021)

مصطلحات موضوعية: CoA, coenzyme A, Future studies, LC−MS, liquid chromatography−mass spectrometry, Computer science, MTDLs, multitarget-directed ligands, RM1-950, Review, Positive data, HTS, high-throughput screening, Machine learning, computer.software_genre, 03 medical and health sciences, 0302 clinical medicine, Multi target, QSAR, quantitative structure–activity relationship, GSH, glutathione, ROS, radicals and oxygen reactive species, Multitarget-directed ligands, HER2, human epidermal growth factor receptor 2, General Pharmacology, Toxicology and Pharmaceutics, ALARM NMR, a La assay to detect reactive molecules by nuclear magnetic resonance, 030304 developmental biology, 0303 health sciences, AD, Alzheimer disease, Fair trial, business.industry, Highly selective, In silico filtering, EGFR, epidermal growth factor receptor, Fair trial strategy, PAINS, pan-assay interference compounds, 030220 oncology & carcinogenesis, Biochemical experiment, CADD, computer-aided drug design technology, PAINS suspects, Therapeutics. Pharmacology, Artificial intelligence, business, computer

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::862abd0b2f76391c84b2238b548f152a
https://doi.org/10.1016/j.apsb.2021.02.023

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المؤلفون: Amberg, Alexander^Aff1_43

المساهمون: Vogel, H. Gerhard, editor^Aff1, Hock, Franz Jakob, editor^Aff2, Maas, Jochen, editor^Aff3, Mayer, Dieter, editor^Aff4

المصدر: Drug Discovery and Evaluation : Safety and Pharmacokinetic Assays. :801-814

Degree: Prof.
Dr.

المؤلفون: Prokhorov, E. I., Svitan’ko, I. V., Zakharenko, A. L., Sukhanova, M. V., Bekker, A. V., Perevoznikov, A. V., Kumskov, M. I.

المصدر: Pattern Recognition and Image Analysis. April 2016 26(2):427-433

المؤلفون: Victor Maojo, Nereida Rodriguez-Fernandez, Adrian Carballal, Carlos Fernandez-Lozano, Francisco J. Novoa, Alejandro Pazos, Paula Carracedo-Reboredo, Francisco Cedrón, Jose Liñares-Blanco

المصدر: Computational and Structural Biotechnology Journal, Vol 19, Iss, Pp 4538-4558 (2021)
RUC. Repositorio da Universidade da Coruña
instname
Computational and Structural Biotechnology Journal

مصطلحات موضوعية: GNN, Graph Neural Networks, Computer science, CPI, Compound-protein interaction, Review, computer.software_genre, NB, Naive Bayes, FNN, Fully Connected Neural Networks, Biochemistry, Field (computer science), AUC, Area under the Curve, PCA, Principal Component Analyisis, Machine Learning, DNA, Deoxyribonucleic acid, ADMET, Absorption, distribution, metabolism, elimination and toxicity, Structural Biology, Drug Discovery, MCC, Matthews correlation coefficient, GEO, Gene Expression Omnibus, t-SNE, t-Distributed Stochastic Neighbor Embedding, Drug discovery, QSAR, Cheminformatics, BBB, Blood–Brain barrier, OOB, Out of Bag, Molecular Descriptors, Computer Science Applications, CNS, Central Nervous System, MKL, Multiple Kernel Learning, ML, Machine Learning, CNN, Convolutional Neural Networks, RF, Random Forest, Biotechnology, CV, Cross Validation, SVM, Support Vector Machines, Quantitative structure–activity relationship, GCN, Graph Convolutional Networks, MACCS, Molecular ACCess System, Biophysics, QSAR, Quantitative structure–activity relationship, FP, Fringerprints, Machine learning, SMILES, simplified molecular-input line-entry system, ADR, Adverse Drug Reaction, KEGG, Kyoto Encyclopedia of Genes and Genomes, WHO, World Health Organization, MD, Molecular Descriptors, AI, Artificial Intelligence, Deep Learning, Component (UML), GO, Gene Ontology, ECFP, Extended Connectivity Fingerprints, Genetics, Set (psychology), ComputingMethodologies_COMPUTERGRAPHICS, APFP, Atom Pairs 2d FingerPrint, business.industry, DL, Deep Learning, Deep learning, CDK, Chemical Development Kit, RNA, Ribonucleic Acid, FDA, Food and Drug Administration, ANN, Artificial Neural Networks, FS, Feature Selection, TCGA, The Cancer Genome Atlas, State (computer science), Artificial intelligence, business, computer, TP248.13-248.65

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c1455b1a18d7c6c8d727e34d6b7d78f8
http://www.sciencedirect.com/science/article/pii/S2001037021003421