Publications
Talk · International Conference on Information Science and Communications Technologies · November 1, 2017
Case study: Matched molecular pairs approach in QSAR modelling
Fatima Аdilova, Alisher Ikramov
Abstract
Modern drug discovery organizations generate large volumes of SAR data. A promising methodology that can be used to mine this chemical data to identify novel structure-activity relationships is the matched molecular pair (MMP) methodology. However, before the full potential of the MMP methodology can be utilized, a MMP identification method that is capable of identifying all MMPs in large chemical data sets on modest computational hardware is required.
Computational Drug Discovery MethodsHistory and advancements in chemistryMachine Learning in Materials Sciencematched molecular pairsQSAR modelsstructure-activity relationship
More by Fatima Adilova
- Graph-based density-variation outlier removal for chronic disease prediction: A leakage-free benchmark and component-wise ablationResults in Engineering · 2026
- Monotonic System Framework for Globally Optimal Structuring of Complex Data2026
- Boosting LLM Adaptation: Superior Stability and Convergence via OLoRA+ Across Diverse NLP BenchmarksInternational Siberian workshops and tutorials on electron devices and materials · 2026
- Генерации графов заданной структуры: от глубоких нейронных сетей к квантовым моделям (на примере создания новых лекарств)Problems of Computational and Applied Mathematics · 2026