Machine Learning–Based QSAR Screening of Natural Product and ZINC Libraries Uncovers Stable BACE-1 Inhibitors Validated by Gaussian Accelerated Molecular Dynamics (GaMD) Simulations

An article created on 2026-08-07 16:25:04

#	Наименование новости	Информативность	Дата публикации
1	MolTabReco: Table-Coordinate-Grounded Chemical Table Recognition with SMILES Recovery for Molecular-Structure Cells	27.65	11-08-2026
2	Design and Computational Evaluation of Quinazolinone Hydrazine Schiff Base Derivatives as EGFR Inhibitors	5	15-07-2026
3	A leakage-aware benchmark for evaluating chemical and cellular generalization in single-cell perturbation-response prediction	31.05	10-08-2026
4	Mirror Symmetry Drug Design (MSDD): A Parity-Inversion Framework for Generative De Novo Design of Proteolytically Stable Dual-Targeting D-Peptides against Bcl-2 and Mcl-1	23.07	10-08-2026
5	Identification of Novel Candidate Inhibitors Targeting hBCATm for Acute Liver Failure by In Silico Methods	14.76	10-08-2026
6	Mapping the Chemical Language of Bacillus Consortia: Toward the Rational Design of Microbial Biostimulants	12.6	10-08-2026
7	Physics-Informed Generative Inverse Design of Stable Vanadium Oxide Crystals with First-Principles Validation	26.67	10-08-2026
8	In Silico Drug-Likeness Assessment of Phytochemicals from Alpinia zerumbet Using Molecular Property Prediction	5	16-07-2026
9	Closed-loop Auto Research for Molecular Property Prediction: Discovering and Certifying Generalizable Improvements	5	15-07-2026

Классификация: Наука. Схожих патентов: 0. Схожих новостей: 9. Тональность: 0. Информативность: 13.57. Источник: www.researchsquare.com.

Найдите то, что Вас интересует