Chemistry | Pharmacology QDπ: A Quantum Deep Potential Interaction Model for Drug Discovery. January 25, 2023
Bioinformatics | Computational Chemistry | Pharmacology Generative and reinforcement learning approaches for the automated de novo design of bioactive compounds. January 25, 2023
Bioinformatics | Drug design | Pharmacology Protein-ligand binding affinity prediction with edge awareness and supervised attention. January 24, 2023
Bioinformatics | Pharmacology LGBMDF: A cascade forest framework with LightGBM for predicting drug-target interactions. January 23, 2023
Bioinformatics | Biomedical Informatics | Genetics | Pharmacology Machine learning in the development of targeting microRNAs in human disease. January 23, 2023
Bioinformatics | Chemistry | Pharmacology PETrans: De Novo Drug Design with Protein-Specific Encoding Based on Transfer Learning. January 21, 2023
Bioinformatics | Chemistry | Pharmacology Neural Networks in the Design of Molecules with Affinity to Selected Protein Domains. January 21, 2023
Oncology | Pharmacology DEML: Drug Synergy and Interaction Prediction Using Ensemble-Based Multi-Task Learning. January 21, 2023
Bioinformatics | Pharmacology GraphATT-DTA: Attention-Based Novel Representation of Interaction to Predict Drug-Target Binding Affinity. January 21, 2023
Microbiology | Oncology | Pharmacology Pharmacomicrobiomics in Anticancer Therapies: Why the Gut Microbiota Should Be Pointed Out. January 21, 2023
Bioinformatics | Drug Discovery | Pharmacology Targeting in silico GPCR conformations with ultra-large library screening for hit discovery. January 20, 2023
Bioinformatics | Computational Chemistry | Drug Discovery | Pharmacology COMA: efficient structure-constrained molecular generation using contractive and margin losses. January 19, 2023