Computational Chemistry | Drug Discovery | Pharmaceutical Sciences 3D-Scaffold: A Deep Learning Framework to Generate 3D Coordinates of Drug-like Molecules with Desired Scaffolds. October 18, 2021
Medicinal Chemistry | Pharmacology Kinase Inhibitor Scaffold Hopping with Deep Learning Approaches. September 29, 2021
Cheminformatics | Computational Chemistry | Drug Discovery GenUI: interactive and extensible open source software platform for de novo molecular generation and cheminformatics. September 26, 2021
Chemoinformatics | Pharmacology | Systems Biology Trends in Deep Learning for Property-driven Drug Design. July 30, 2021
Chemistry | Pharmaceutical Sciences DeepAtomicCharge: a new graph convolutional network-based architecture for accurate prediction of atomic charges. May 22, 2021
Chemoinformatics | Pharmacology Deep Learning-Based Ligand Design Using Shared Latent Implicit Fingerprints from Collaborative Filtering. April 26, 2021
Pharmacology Target2DeNovoDrug: a novel programmatic tool for -deep learning based drug design for any target of interest. March 11, 2021
Bioinformatics | Oncology | Pharmacology Evaluating Deep Learning models for predicting ALK-5 inhibition. January 28, 2021
Bioinformatics | Drug design | Pharmacology Accelerating Drug Design against Novel Proteins Using Deep Learning. January 25, 2021
Chemistry | Drug Development | Pharmaceutical Sciences Mol-CycleGAN: a generative model for molecular optimization. January 12, 2021
Medicinal Chemistry | Synthetic Chemistry SMILES-based deep generative scaffold decorator for de-novo drug design. January 12, 2021
Chemistry | Drug design OpenChem: A Deep Learning Toolkit for Computational Chemistry and Drug Design. January 4, 2021