Bioinformatics | Chemistry PaCh (Packed Chemicals): Computationally Effective Binary Format for Chemical Structure Encoding. March 30, 2024
Cheminformatics | Chemistry Automated molecular structure segmentation from documents using ChemSAM. March 13, 2024
Chemoinformatics Recent advances in the self-referencing embedded strings (SELFIES) library. November 28, 2023
Cheminformatics Large-scale evaluation of k-fold cross-validation ensembles for uncertainty estimation. April 28, 2023
Computer-Aided Drug Discovery | Medicinal Chemistry | Pharmaceutical Chemistry Introduction to artificial intelligence and deep learning using interactive electronic programming notebooks. April 17, 2023
Computational Chemistry | Drug Discovery On the ability of machine learning methods to discover novel scaffolds. December 27, 2022
Database Management | Herbal Medicine | Phytochemistry | Traditional Medicine OSADHI – An online structural and analytics based database for herbs of India. December 15, 2022
Artificial Intelligence | Drug Discovery | Pharmacology Deep learning in drug discovery: a futuristic modality to materialize the large datasets for cheminformatics. November 2, 2022
Chemoinformatics | Toxicology Predictive and explanatory themes of NOAEL through a systematic comparison of different machine learning methods and descriptors. September 20, 2022
Bioinformatics | Herbal Medicine | Pharmacology Exploring Anti-osteoporosis Medicinal Herbs using Cheminformatics and Deep Learning Approaches. September 6, 2022
Chemistry | Proteomics | Spectroscopy | Structural Biology The Rise of the Machines in Chemistry. August 17, 2022
Cheminformatics | Medicinal Chemistry Chemical named entity recognition in the texts of scientific publications using the naïve Bayes classifier approach. August 16, 2022