Pharmacology | Virology HBCVTr: an end-to-end transformer with a deep neural network hybrid model for anti-HBV and HCV activity predictor from SMILES. April 22, 2024
Chemistry | Pharmacology Descriptor-Free Deep Learning QSAR Model for the Fraction Unbound in Human Plasma. September 1, 2023
Chemical Carcinogenesis | Chemoinformatics | Machine Learning Predicting Chemical Carcinogens Using a Hybrid Neural Network Deep Learning Method. November 11, 2022
Chemoinformatics | Computational Chemistry | Pharmaceutical Sciences MERMAID: an open source automated hit-to-lead method based on deep reinforcement learning. November 28, 2021
Chemistry | Drug Discovery A merged molecular representation learning for molecular properties prediction with a web-based service. May 27, 2021
Bioinformatics | Chemistry STOUT: SMILES to IUPAC names using neural machine translation. April 28, 2021
Cheminformatics SMILES Pair Encoding: A Data-Driven Substructure Tokenization Algorithm for Deep Learning. March 15, 2021
Bioinformatics | Pharmacology DL-SMILES#: A Novel Encoding Scheme for Predicting Compound Protein Affinity by Deep Learning. February 19, 2021
Medicinal Chemistry | Synthetic Chemistry SMILES-based deep generative scaffold decorator for de-novo drug design. January 12, 2021
Computer Science | Pharmaceutical Sciences Guidelines for RNN Transfer Learning Based Molecular Generation of Focussed Libraries. July 13, 2020
Cell Biology | Drug Discovery | Machine Learning Investigation of Machine Intelligence in Compound Cell Activity Classification. October 3, 2019