Category : Case Studies
-
Read MoreMolecular Generation of Non-covalent KRAS Inhibitor Candidates Using Machine Learning on Elix Discovery™
Please click here to check the detail.
- Read More
-
Read MoreActive Learning via Incremental Revelation: Dipeptidyl Peptidase-4 Inhibitors Case Study
Please click here to check the detail.
-
Read MoreHit to Lead Discovery of Benzylpiperidine Acetylcholinesterase Inhibitors Using Generative Models: a Restrospective Case Study
Please click here to check the detail.
-
Read MoreAn Elix Discovery™ Case Study: Rediscovering Donepezil with an In-house Generative Model
Please click here to check the detail.
-
Read MoreAn Elix Discovery™ Case Study: Virtual Screening with Confidence Scores
Please click here to check the detail.
-
Read MoreLeveraging Seif-Supervised Contextual Language Models for Deep Neural Network Antibody CDR-H3 Loop Prediction
Please click here to check the detail.
-
Read MoreUsing Attribution-based Explainability to Guide Deep Molecular Optimization
Please click here to check the detail.
-
Read MorePredicting inhibitors for SARS-CoV-2 RNA-dependent RNA polymerase using machine learning and virtual screening
This article is a reprint of a manuscript written by our research engineer Nazim Medzhidov and CEO Shinya Yuki that was submitted to SAR News No.40, a newsletter published by The Pharmaceutical Society Japan, The Division of Structure-Activity Studies.If you would like to read the entire article published in SAR News No.40, please click here to access and check it.
-
Read MorePredicting inhibitors for SARS-CoV-2 RNA-dependent RNA polymerase using machine learning
Please click here to check the detail.