Title: An Artificial Intelligence Approach Based on Hybrid CNN-XGB Model to Achieve High Prediction Accuracy through Feature Extraction, Classification and Regression for Enhancing Drug Discovery in Biomedicine
Journal: International Journal of Biology and Biomedical Engineering
Contributors: Mukesh Madanan, Biju T. Sayed, Nurul Akhmal Mohd Zulkefli, Nitha C. Velayudhan.
Title: Active learning effectively identifies a minimal set of maximally informative and asymptotically performant cytotoxic structure–activity patterns in NCI-60 cell lines
Title: Designing compact training sets for data-driven molecular property prediction through optimal exploitation and exploration
Journal: Molecular Systems Design & Engineering
Contributors: Bowen Li, Srinivas Rangarajan.
DOI-URL: https://doi.org/10.1039/C9ME00078J
Title: Applicability Domain of Active Learning in Chemical Probe Identification: Convergence in Learning from Non-Specific Compounds and Decision Rule Clarification
Title: An Adaptive Lightweight Security Framework Suited for IoT
Journal:
Contributors: Menachem Domb.
DOI-URL: https://doi.org/10.5772/intechopen.73712
Title: Adaptive mining and model building of medicinal chemistry data with a multi-metric perspective
Journal: Future Medicinal Chemistry
Contributors: JB Brown.
DOI-URL: https://doi.org/10.4155/fmc-2018-0188
Title: Chemogenomic Active Learning's Domain of Applicability on Small, Sparse qHTS Matrices: A Study Using Cytochrome P450 and Nuclear Hormone Receptor Families
Title: Active learning for computational chemogenomics
Journal: Future Medicinal Chemistry
Contributors: Daniel Reker, Petra Schneider, Gisbert Schneider, JB Brown.
DOI-URL: https://doi.org/10.4155/fmc-2016-0197
Title: Small Random Forest Models for Effective Chemogenomic Active Learning
Journal: Journal of Computer Aided Chemistry
Contributors: Christin Rakers, Daniel Reker, J.B. Brown.
DOI-URL: https://doi.org/10.2751/jcac.18.124
Title: Large-Scale Off-Target Identification Using Fast and Accurate Dual Regularized One-Class Collaborative Filtering and Its Application to Drug Repurposing
Journal: PLOS Computational Biology
Contributors: Hansaim Lim, Aleksandar Poleksic, Yuan Yao, Hanghang Tong, Di He, Luke Zhuang, Patrick Meng, Lei Xie, .
Title: BRADSHAW: a system for automated molecular design
Journal: Journal of Computer-Aided Molecular Design
Contributors: Darren V. S. Green, Stephen Pickett, Chris Luscombe, Stefan Senger, David Marcus, Jamel Meslamani, David Brett, Adam Powell, Jonathan Masson.