Neural Network Sharpens Early Drug Discovery With 95.9% Accuracy in Predicting Painkilling Compounds
Researchers in Algeria have built an optimized neural network that predicts the analgesic activity of drug-like molecules with 95.9 percent ...
Tag: virtual screening
AI Drug Discovery Gets a Virology Check: Why Respiratory Virus Polymerases Break the Benchmarks
A new review argues that AI-driven antiviral discovery must be benchmarked against respiratory RNA virus polymerases under virologically realistic conditions ...
Computational Screening Points to Two Quinoline Candidates Against Tuberculosis and Resistant Infections
Computational screening of four halogenated quinoline derivatives identifies QNL1 and QNL3 as promising oral drug candidates against tuberculosis, E. coli, ...
Plant Compounds Emerge as Multitarget Leads Against Alzheimer’s Disease in Virtual Screen
A computational screen of 2,847 plant compounds against ten Alzheimer's-related proteins identified 36 multitarget phytochemicals with stable binding and literature-backed ...
Scientists Find New Chemical Leads That Disarm a Deadly Hospital Superbug
Researchers combined virtual screening, mutational analysis, molecular dynamics simulations, and antimicrobial testing to identify two promising small-molecule inhibitors of the ...
African Plant Compounds Emerge as Digital Leads Against River Blindness Parasite
Virtual screening of a Central African natural-product library has identified homoisoflavanone and related compounds as stable computational inhibitors of the ...
African Natural Products Library Yields Two Promising COX-2 Inhibitor Candidates
Computational screening of the Pan-African Natural Products Library identified two compounds, 152CSB2 and Thix6g, as promising selective COX-2 inhibitors with ...
Virtual screen of 12 million compounds yields new bacterial kinase inhibitors
Japanese researchers used an amino acid mapping descriptor derived from the natural antibiotic waldiomycin to screen nearly 12 million compounds ...
Isoniazid Reborn: Computational Design Yields a Schiff Base Lead That Outperforms a First-Line TB Drug
A virtual library of 30 isoniazid-based Schiff base derivatives was computationally screened, and the top-ranked compound SLB-5 was synthesized and ...
Computers Take On Crop Pests: How Molecular Docking Is Reshaping Insecticide Discovery
A comprehensive review in Results in Chemistry details how molecular docking, virtual screening, and ADMET prediction are accelerating the discovery ...
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Mothers who receive childcare support from maternal grandparents show more parental warmth, finds NTU Singapore study
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University of Seville Breaks 120-Year-Old Mystery, Revises a Key Einstein Concept
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Bee body mass, pathogens and local climate influence heat tolerance
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Researchers record first-ever images and data of a shark experiencing a boat strike
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Groundbreaking Clinical Trial Reveals Lubiprostone Enhances Kidney Function
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