Chemistry | Drug Discovery | Pharmacology A deep-learning view of chemical space designed to facilitate drug discovery. July 22, 2020
Drug Discovery | Pharmacology Advancing computer-aided drug discovery (CADD) by big data and data-driven machine learning modeling. July 14, 2020
Computational Biology | Drug Discovery | Pharmacology Network-principled deep generative models for designing drug combinations as graph sets. July 13, 2020
Drug Discovery | Oncology Current Advances and Limitations of Deep Learning in Anticancer Drug Sensitivity Prediction. July 10, 2020
Artificial Intelligence | Bioinformatics | Drug Discovery Machine learning and AI-based approaches for bioactive ligand discovery and GPCR-ligand recognition. July 9, 2020
Bioinformatics | Drug Discovery | Pharmacology Computationally predicting binding affinity in protein-ligand complexes: free energy-based simulations and machine learning-based scoring functions. June 27, 2020
Cheminformatics | Computer Science | Drug Discovery Predicting Binding from Screening Assays with Transformer Network Embeddings. June 22, 2020
Chemistry | Drug Discovery | Materials Science Powerful, transferable representations for molecules through intelligent task selection in deep multitask networks. June 1, 2020
Drug Discovery | Microbiology Deep-AmPEP30: Improve Short Antimicrobial Peptides Prediction with Deep Learning. May 28, 2020
Drug Discovery | Pharmacology An up-to-date overview of computational polypharmacology in modern drug discovery. May 26, 2020
Computational Chemistry | Drug Discovery | Neural Networks Convolutional Neural Network Based Virtual Screening. May 26, 2020
Chemistry | Drug Discovery | Pharmacology Privileged Scaffold Analysis of Natural Products with Deep Learning-based Indication Prediction Model. May 14, 2020