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Chemoinformatics | Pharmacology Predicting Potent Compounds Using a Conditional Variational Autoencoder Based upon a New Structure-Potency Fingerprint. February 25, 2023
Bioinformatics | Oncology | Pharmacology Classification models and SAR analysis on HDAC1 inhibitors using machine learning methods. June 23, 2022
Medicinal Chemistry DeepAS – Chemical language model for the extension of active analogue series. May 14, 2022
Biochemistry | Machine Learning | Pharmacology Modeling Structure-Activity Relationship of AMPK Activation. November 13, 2021
Drug Discovery | Oncology | Pharmacology Adapting the DeepSARM approach for dual-target ligand design. March 13, 2021
Chemoinformatics | Molecular Design DeepCOMO: from structure-activity relationship diagnostics to generative molecular design using the compound optimization monitor methodology. October 5, 2020
Bioinformatics | Chemistry | Pharmaceutical Sciences Deep Docking: A Deep Learning Platform for Augmentation of Structure Based Drug Discovery. July 1, 2020
Chemoinformatics | Drug design | Pharmaceutical Sciences Three-Dimensional Classification Structure-Activity Relationship Analysis Using Convolutional Neural Network. May 7, 2019