ARTICLE
|
doi:10.20944/preprints202308.2118.v1
Subject:
Engineering,
Other
Keywords:
Behaviour analysis; domestic environments; activities of daily living; knowledge discovery in databases
Online: 31 August 2023 (09:30:42 CEST)
REVIEW
|
doi:10.20944/preprints202208.0230.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
chemoinformatics; compound databases; chemical space; diversity; drug discovery; openscience; pseudo-natural product
Online: 12 August 2022 (08:39:40 CEST)
ARTICLE
|
doi:10.20944/preprints202205.0146.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
ubiquitous exposure; diagnosis; research design; quality of health care; habitat injuries; discovery
Online: 11 May 2022 (05:40:27 CEST)
REVIEW
|
doi:10.20944/preprints202105.0346.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
drug discovery; drug repurposing; bioinformatics; machine learning; artificial intelligence; biomedical discoveries etc.
Online: 14 May 2021 (15:17:50 CEST)
ARTICLE
|
doi:10.20944/preprints201912.0302.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
papillomavirus; feline; cat; felid; cancer; squamous cell carcinoma; phylogeny; discovery; pathogen; oncogenic
Online: 23 December 2019 (12:01:11 CET)
ARTICLE
Subject:
Environmental And Earth Sciences,
Paleontology
Keywords:
islands, discovery, settlement, colonization, Easter Island, Rapa Nui, Pacific Ocean, Polynesians, Amerindians
Online: 28 March 2019 (11:22:33 CET)
ARTICLE
|
doi:10.20944/preprints201711.0160.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
false discovery rate; machine learning; protein function prediction; support vector machine; BLAST
Online: 24 November 2017 (11:14:05 CET)
REVIEW
|
doi:10.20944/preprints202308.1518.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
SARS-CoV-2; main protease; inhibitors; molecular modeling; molecular dynamics simulations; binding energy calculation; ADME properties; potential therapeutics; drug discovery
Online: 22 August 2023 (07:19:37 CEST)
ARTICLE
|
doi:10.20944/preprints202406.0953.v1
Subject:
Biophysics,
Biology And Life Sciences
Keywords:
GIBAC; Intermolecular binding affinity (Kd); Structural biophysics; Synthetic data; Drug discovery \& design;
Online: 14 June 2024 (05:04:28 CEST)
ARTICLE
|
doi:10.20944/preprints202402.0943.v1
Subject:
Computer Science And Mathematics,
Artificial Intelligence And Machine Learning
Keywords:
degradation monitoring; health monitoring; causal discovery; jaccard distance, inter- 14 pretability; causal interpretability
Online: 19 February 2024 (10:09:53 CET)
ARTICLE
|
doi:10.20944/preprints202311.1460.v1
Subject:
Biology And Life Sciences,
Parasitology
Keywords:
Onchocerciasis; drug discovery; anthelmintics; O. gutturosa; motility and MTT inhibition; FDA approved drugs
Online: 23 November 2023 (09:31:11 CET)
ARTICLE
|
doi:10.20944/preprints202311.0766.v1
Subject:
Medicine And Pharmacology,
Neuroscience And Neurology
Keywords:
Alzheimer's disease; neural networks; Training and learning; early diagnosis; drug discovery; brain diseases
Online: 13 November 2023 (08:41:42 CET)
ARTICLE
|
doi:10.20944/preprints202308.1966.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
Drug discovery; computational chemistry; conceptual DFT; marine cyclopeptides; chemical reactivity properties; bioavailability scores
Online: 29 August 2023 (09:36:49 CEST)
REVIEW
|
doi:10.20944/preprints202104.0244.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Staphylococcus aureus; MRSA; genome-scale metabolic models; model-driven discovery; strain-specific models
Online: 8 April 2021 (14:25:31 CEST)
ARTICLE
|
doi:10.20944/preprints202103.0084.v1
Subject:
Business, Economics And Management,
Finance
Keywords:
price discovery; financial economics; clearing; credit default swaps; collateralization; OTC; risk premium; CCP.
Online: 2 March 2021 (12:05:53 CET)
REVIEW
|
doi:10.20944/preprints202005.0342.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
seaweed; metabolites; neuroprotection; Alzheimer’s disease; Parkinson’s disease; ischemic stroke; computer-aided drug discovery
Online: 21 May 2020 (09:49:29 CEST)
ARTICLE
|
doi:10.20944/preprints201911.0024.v1
Subject:
Computer Science And Mathematics,
Information Systems
Keywords:
Iranian traditional medicine; Persian medicine; ontology; knowledge-base; Mizaj; temperament; new drug discovery
Online: 3 November 2019 (17:07:50 CET)
ARTICLE
|
doi:10.20944/preprints201803.0144.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
sea anemone; drug discovery; cancer; antiangiogenic; endothelial cells; RGD motif; Kunitz type inhibitor
Online: 19 March 2018 (08:15:38 CET)
ARTICLE
|
doi:10.20944/preprints202401.2140.v1
Subject:
Environmental And Earth Sciences,
Soil Science
Keywords:
causal machine learning; soil analysis; causal discovery; crop fertilization; flood; agriculture; deposition; climate change
Online: 31 January 2024 (02:55:42 CET)
ARTICLE
|
doi:10.20944/preprints202309.1350.v1
Subject:
Computer Science And Mathematics,
Computer Networks And Communications
Keywords:
echo chamber; filter bubble; digital social networks; social network analysis; polarization; diversity; community discovery
Online: 20 September 2023 (04:51:16 CEST)
ARTICLE
|
doi:10.20944/preprints202305.0908.v1
Subject:
Computer Science And Mathematics,
Artificial Intelligence And Machine Learning
Keywords:
Deep Learning; Topic Discovery; Latent Dirichlet Allocation; Latent Semantic Analysis; Probabilistic Latent Semantic Analysis
Online: 12 May 2023 (08:52:57 CEST)
ARTICLE
|
doi:10.20944/preprints202301.0221.v1
Subject:
Computer Science And Mathematics,
Artificial Intelligence And Machine Learning
Keywords:
Ion channels; Membrane proteins; Transmembrane proteins; Drug discovery; Protein language models; Convolutional Neural Network
Online: 12 January 2023 (09:21:08 CET)
ARTICLE
|
doi:10.20944/preprints202108.0512.v1
Subject:
Medicine And Pharmacology,
Pharmacy
Keywords:
oyster mushroom (Pleurotus sp.); PARP protein; 4UND protein; molecular docking; PyRx; BIOVIA drug discovery
Online: 26 August 2021 (16:15:06 CEST)
ARTICLE
|
doi:10.20944/preprints202107.0315.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
Myxobacteria; myxochelin; nicotinic acid; secondary metabolites; natural product discovery; precursor-directed biosynthesis; total synthesis
Online: 14 July 2021 (10:03:32 CEST)
ARTICLE
|
doi:10.20944/preprints201909.0063.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
FABP4; A-FABP; aP2; antidiabetes; antiobesity; antiatherosclerosis; anticancer; computational tools; computer-aided drug discovery
Online: 5 September 2019 (15:39:58 CEST)
ARTICLE
|
doi:10.20944/preprints201811.0627.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
chemical space; chemical data set; chemoinformatics; consensus diversity plot; drug discovery; molecular diversity; visualization
Online: 30 November 2018 (10:06:15 CET)
ARTICLE
|
doi:10.20944/preprints202312.2030.v1
Subject:
Biology And Life Sciences,
Aquatic Science
Keywords:
Myzostomida; symbiotic polychaetes; crinoids; Hainan Island; marine biodiversity; echinoderm symbionts; SCUBA; Sanya; new species discovery
Online: 27 December 2023 (10:08:27 CET)
ARTICLE
|
doi:10.20944/preprints202111.0125.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
artificial intelligence; de novo design; fragment-based drug discovery; HIV-1 inhibitors; pseudo natural products
Online: 8 November 2021 (09:23:49 CET)
REVIEW
|
doi:10.20944/preprints202106.0305.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
dietary flavonoids; cardioprotective effects; ROS scavenging; myocardial dysfunction; bioavailability and drug metabolism; toxicity; drug discovery
Online: 11 June 2021 (08:44:01 CEST)
REVIEW
|
doi:10.20944/preprints202008.0320.v1
Subject:
Computer Science And Mathematics,
Artificial Intelligence And Machine Learning
Keywords:
Data Science; Machine Learning; Deep Learning; Genomics; COVID-19; Drug Discovery; Image Analysis; Interactomics; Epidemiology
Online: 14 August 2020 (11:01:56 CEST)
ARTICLE
|
doi:10.20944/preprints201912.0049.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
natural product; drug discovery; protoflavonoid; continuous-flow chemistry; oxime; antitumor; antiviral; epstein-barr virus; lytic cycle
Online: 4 December 2019 (11:40:33 CET)
ARTICLE
|
doi:10.20944/preprints201806.0143.v1
Subject:
Arts And Humanities,
Philosophy
Keywords:
induction; naturalism; evidence and justification; epistemic norms; induction and concept formation; induction and discovery of laws
Online: 8 June 2018 (16:24:17 CEST)
REVIEW
|
doi:10.20944/preprints201805.0011.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
computational drug repositioning; drug repositioning; drug repurposing; machine learning; deep learning; crowdsourcing; open innovation; drug discovery
Online: 1 May 2018 (12:27:22 CEST)
ARTICLE
|
doi:10.20944/preprints202405.1908.v1
Subject:
Life Sciences,
Biology And Life Sciences
Keywords:
Breast cancer; Target Identification; Protein-Protein Interaction; Network Pharmacology; Drug Discovery; KEEG; Enrichment analysis; Text Mining; Cytoscape
Online: 29 May 2024 (08:33:40 CEST)
REVIEW
|
doi:10.20944/preprints202308.0887.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Drug Discovery; Drug Repurposing; SARS-CoV-2; COVID; Molecular Docking; QSAR; Molecular Dynamic; Virtual Screening; Drug Design
Online: 11 August 2023 (09:03:55 CEST)
ARTICLE
|
doi:10.20944/preprints202111.0266.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
Pan-Cancer; somatic point mutations; cancer subtyping; biomarker discovery; driver genes; per-sonalized medicine; health data analytics
Online: 15 November 2021 (13:51:33 CET)
ARTICLE
|
doi:10.20944/preprints201706.0132.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
arylamine N-acetyltransferases; cancer; tuberculosis; drug discovery; traditional Chinese medicine; virtual screening; molecular dynamics simulation; MM-PBSA
Online: 30 June 2017 (11:36:22 CEST)
REVIEW
|
doi:10.20944/preprints201812.0273.v3
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
mutations; disease-causing mutations; polymorphism; folding free energy change; binding free energy change; drug discovery; in silico screening
Online: 28 January 2019 (11:39:23 CET)
REVIEW
|
doi:10.20944/preprints201807.0116.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
chemical space; chemoinformatics; data mining; databases; DNMT inhibitors; drug discovery; epi-informatics; molecular modeling; similarity searching; virtual screening
Online: 6 July 2018 (10:04:44 CEST)
REVIEW
|
doi:10.20944/preprints202010.0179.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Non Michaelis-Menten Kinetics; High-throughput screening; allostery; cooperativity; processive kinetics; distributive kinetics; single-molecule; auto-catalytic; drug discovery
Online: 8 October 2020 (13:34:16 CEST)
ARTICLE
|
doi:10.20944/preprints201811.0574.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
activity cliff; activity landscape plotter; epigenetics; docking; drug discovery; D-tools; molecular dynamics; Epi-polypharmacology; SmART; structure-activity relationships
Online: 26 November 2018 (07:14:05 CET)
REVIEW
|
doi:10.20944/preprints202312.0982.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
HER2; HER2 discovery; HER2 role in cancers; HER 2 low; HER2DX; prognostic; predictive; biomarker; anti-HER therapies; HER2 landmark trials
Online: 13 December 2023 (11:35:40 CET)
REVIEW
|
doi:10.20944/preprints202311.0852.v1
Subject:
Computer Science And Mathematics,
Artificial Intelligence And Machine Learning
Keywords:
Computer-Aided Drug Design (CADD); Machine Learning and Artificial Intelligence (AI); Drug discovery; Chemoinformatics; Molecular modeling; Molecular Docking; Target identification
Online: 14 November 2023 (16:54:42 CET)
ARTICLE
|
doi:10.20944/preprints202306.1818.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
Alternative Splicing; two-colour (GFP/RFP) Fluorescent Reporter; MAPT; Exon-Skipping; FTDP-17; High Content Screening; siRNA; Nucleic Acids Therapeutics; Drug discovery
Online: 26 June 2023 (13:55:26 CEST)
ARTICLE
|
doi:10.20944/preprints202303.0253.v1
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
ASFV; humoral responses; ASFV capsid proteins; ASFV vaccines; ASFV immunity; antigen discovery; luciferase antibody capture assay; luciferase immunoprecipitation assay; viral hemorrhagic fever.
Online: 14 March 2023 (09:43:57 CET)
REVIEW
|
doi:10.20944/preprints202308.0434.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
In silico studies; drug discovery; SARS-CoV-2; molecular docking; virtual screening; molecular dynamics simulations; drug candidates; antiviral activity; receptor-ligand complex; drug design
Online: 4 August 2023 (11:11:21 CEST)
REVIEW
|
doi:10.20944/preprints202311.0529.v1
Subject:
Public Health And Healthcare,
Primary Health Care
Keywords:
SARS-CoV-2; Papain-like protease; COVID-19; Molecular modelling; Molecular dynamics simulations; Drug discovery; Antiviral drugs; Inhibitors; Therapeutic agents; therapeutic targets; Irreversible inhibitors; Repurposing drugs
Online: 8 November 2023 (16:11:55 CET)
REVIEW
|
doi:10.20944/preprints202006.0078.v1
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
COVID-19; vaccine; vaccine development; vaccine discovery; systems biology; machine learning; platform technologies; adjuvants; smart clinical trials; human genetics; regulatory convergence; real world evidence; vaccines safety
Online: 7 June 2020 (10:11:02 CEST)
REVIEW
|
doi:10.20944/preprints202401.1443.v1
Subject:
Medicine And Pharmacology,
Neuroscience And Neurology
Keywords:
The Blood-Brain Barrier (BBB); CNS drug discovery; passive diffusion; active transport; Efflux transporters; Influx Transporters; P-glycoproteins (P-gp); breast cancer resistance protein (BCRP); in silico models
Online: 19 January 2024 (09:32:31 CET)