drug-discovery

Documents about drug-discovery

• Three privileged scaffolds, one pipeline: chalcones, pyrazolines and pyrazoles in drug discovery and fluorescent sensing.#653354NCBI PubMed Central
• Trending Topics on Coumarin and Its Derivatives in 2020#948926Repositorio de Universidad Autónoma de Chile.
• SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules#6414OpenAlex
• GENERALIZABLE DEEP LEARNING APPROACHES FOR COMPUTATIONAL DRUG DISCOVERY#396668OpenMETU
• Precision oncology in the age of AI: lessons from AI-driven drug discovery and clinical translation.#25570NCBI PubMed Central
• Interpretable neural network for risk stratification and drug target discovery based on PBMC transcriptomes.#30538NCBI PubMed Central
• From data to discovery: The rise of information-theoretic predictive models in drug development.#122800NCBI PubMed Central
• AI in Drug Discovery: Clinical Failures, Regulatory Reality, and the Validation Crisis Behind the Hype.#317814NCBI PubMed Central
• $\mathtt{Q^2SAR}$: overcoming classical bottlenecks in drug discovery via quantum multiple kernel learning#363251arXiv CS
• Integrating Artificial Intelligence Into Drug Discovery From Medicinal Plants: Current Applications and Infrastructural Challenges.#420975NCBI PubMed Central
• Quinoline‐Based Scaffolds in Anticancer Drug Discovery: Molecular Targets, Synthetic Strategies, and Biological Advances.#610513NCBI PubMed Central
• Animal Models for Drug Discovery in Schizophrenia: A Critical View from a Clinical Perspective.#662621NCBI PubMed Central
• Patents on AI-derived drugs: empirical evidence and legal challenges#169571Scholarly Commons at Boston University School of Law
• Milp-hyperbox classification for structure-based drug design in the discovery of small molecule inhibitors of SIRTUIN6#954770Koc University Digital Collections
• In situ click chemistry generation of cyclooxygenase-2 inhibitors#7029OpenAlex
• Public-Private Partnerships: Compound and Data Sharing in Drug Discovery and Development#163613WIPO
• Privileged nitrogen heterocycles in anticancer drug discovery: recent advances on imidazole, indole, and pyrimidine scaffolds.#338478NCBI PubMed Central
• DrugDL: dual-modal deep learning framework for multi-property drug prediction and targeted therapy discovery.#342477NCBI PubMed Central
• Expanding Ayurvedic Pharmacology: Ecological, Quality Standards, and Environmental Health Implications of Medicinal Plant Drug Discovery.#364797NCBI PubMed Central
• Structural Modifications of Nonsteroidal Anti-Inflammatory Drugs (NSAIDs): New Horizons in Antimicrobial Drug Discovery.#472394NCBI PubMed Central
• Designing a Robust LLM-Based Evaluation System for Agentic AI in Drug Discovery Through Human Alignment#661183arXiv (OAI Expanded)
• Designing a Robust LLM-Based Evaluation System for Agentic AI in Drug Discovery Through Human Alignment#662233arXiv (All)
• Biotechnology, Big Data and Artificial Intelligence#686440OpenAlex
• MMAI Gym for Science: Training Liquid Foundation Models for Drug Discovery#809316arXiv (OAI Expanded)
• MMAI Gym for Science: Training Liquid Foundation Models for Drug Discovery#819309arXiv (All)
• Integrating artificial intelligence across the cancer drug discovery pipeline using a design-test-refine workflow.#1001166NCBI PubMed Central
• Machine learning models for drug-drug interaction prediction from computational discovery to clinical application#479553OpenAlex
• "Role of Artificial Intelligence in Drug Discovery and Development: A New Era in Pharmaceutical Sciences"#30182DataCite
• "Role of Artificial Intelligence in Drug Discovery and Development: A New Era in Pharmaceutical Sciences"#30183DataCite
• Recent applications of artificial intelligence in RNA-targeted small molecule drug discovery#286845WIPO
• Structural characteristics and evolutionary trajectories of knowledge recombination in the field of AI-driven drug discovery.#305238NCBI PubMed Central
• Insights into biological activities profile of gingerols and shogaols for potential pharmacological applications#324080Universiti Putra Malaysia Institutional Repository
• AI-powered therapeutic aptamer drug discovery: Targeting the CT-domain of CTGF for duchenne muscular dystrophy.#371674NCBI PubMed Central
• Artificial feeding of ticks: a 3Rs-based approach for studying tick biology, pathogen transmission and drug discovery#445616HAL (France)
• Progress in high-throughput screening for drug and material discovery in orthopedic diseases: a literature review.#458593NCBI PubMed Central
• METTL1/WDR4 Complex: A Novel Epitranscriptomic Target at the Crossroads of RNA Methylation and Drug Discovery.#472456NCBI PubMed Central
• Designing a Robust LLM-Based Evaluation System for Agentic AI in Drug Discovery Through Human Alignment#480062arXiv CS
• A Multimodal Sequence-to-Sequence Model for Automatic Assignment of ATC Codes in Drug Discovery and Repurposing.#145983NCBI PubMed Central
• Advancing Drug Discovery with AI: Machine and Deep Learning Strategies for Target Identification and Precision Nanomedicine.#280961NCBI PubMed Central
• Revolutionizing drug discovery from natural products: The roles of artificial intelligence and multi-omics in accelerating innovation.#371673NCBI PubMed Central
• Editorial: Insights in experimental pharmacology and drug discovery: 2022#373951Dipòsit Digital de la Universitat de Barcelona
• Leveraging machine learning across diverse fields: Innovations and applications#451986HAL (France)
• From Bench-to-Bedside: A Review of Clinical Trials in Drug Discovery and Development#1000483arXiv (All)
• Subset binding enables detection of multimodal patient subgroup patterns and drug target discovery in idiopathic pulmonary fibrosis.#13516NCBI PubMed Central
• Accelerating Drug Discovery with HyperLab: An Easy-to-Use AI-Driven Platform#169080Unpaywall
• Do Larger Models Really Win in Drug Discovery?A Benchmark Assessment of Model Scaling in AI-Driven Molecular Property and Activity Prediction#249455bioRxiv / medRxiv
• A cutting-edge solution to a Gordian knot? Aptamers targeting cancer stem cell markers for strategic cancer therapy#310092Universiti Putra Malaysia Institutional Repository
• A Unified Hierarchical Multiscale Fusion Framework for Drug-Target Affinity Prediction: From Benchmark Performance to Nanomolar Inhibitor Discovery.#479253NCBI PubMed Central
• An Explorer’s Toolkit for Traversing Chemical Space: Making Decisions under the Weight of Uncertainty in Drug Discovery#1052789eScholarship
• Discovery of Nanocrystalline Drug–Drug Salts of Vortioxetine with Diclofenac or (S)‑Flurbiprofen as Long-Acting Antidepressant Formulations#482288Figshare