ActivityFinder: Toward the Fully Automatic Integration of Structural and Binding Affinity Data – Feb 2026
MedChemica2026-08-11T12:55:11+00:00ActivityFinder: Toward the Fully Automatic Integration of Structural and Binding Affinity Data As the
Design, modular synthesis and screening of 58 shape-diverse 3-D fragments- December 2025
MedChemica2026-08-11T12:55:11+00:00Design, modular synthesis and screening of 58 shape-diverse 3-D fragments   Fragment
Practically Significant Method Comparison Protocols for Machine Learning in Small Molecule Drug Discovery – December 2025
MedChemica2026-08-11T12:55:11+00:00Practically Significant Method Comparison Protocols for Machine Learning in Small Molecule Drug Discovery
Discovery of the Clinical Candidate S‑892216: A Second-Generation of SARS-CoV‑2 3CL Protease Inhibitor for Treating COVID-19- Aug 2025
Al Dossetter2026-08-11T12:55:11+00:00Discovery of the Clinical Candidate S‑892216: A Second-Generation of SARS-CoV‑2 3CL Protease Inhibitor for
AI in drug design: evolution or revolution? – Aug 2025
Al Dossetter2026-08-11T12:55:11+00:00AI in drug design: evolution or revolution? Darren sets out to explore the impact
Efficient Crystallization of Apo Sirt2 for Small-Molecule Soaking and Structural Analysis of Ligand Interactions- May 2025
MedChemica2026-08-11T12:55:12+00:00Efficient Crystallization of Apo Sirt2 for Small-Molecule Soaking and Structural Analysis of Ligand Interactions
Comp Chem Paper of the Month – May 2025
MedChemica2026-08-11T12:55:12+00:00Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active
Cheminformatic Analysis of Core-Atom Transformations in Pharmaceutically Relevant Heteroaromatics- Apr 2025
MedChemica2026-08-11T12:55:12+00:00Cheminformatic Analysis of Core-Atom Transformations in Pharmaceutically Relevant Heteroaromatics J. Med. Chem., 2025, 68, 6,
Comp Chem Paper of the Month – April 2025
Bradley Shaw2026-08-11T12:55:12+00:00Visualising lead optimisation series using reduced graphs Journal of Cheminformatics This month’s paper of
Comp. Chem. Paper of the Month – Mar 2025
MedChemica2026-08-11T12:55:12+00:00Quantum Chemical Evaluation and QSAR Modeling of N-Nitrosamine Carcinogenicity N-Nitrosamines (compounds containing the R2N-N=O
