Peer-Reviewed Publications
Pharma & Biotech
Journal of Computational Chemistry
Complex machine learning model needs complex testing: Examining predictability of molecular binding affinity by a graph neural network
Healthcare
Pharma & Biotech
Journal of Computational Chemistry
Toward efficient generation, correction, and properties control of unique drug‐like structures
Pharma & Biotech
Symmetry
The Additive Input-Doubling Method Based on the SVR with Nonlinear Kernels: Small Data Approach
Pharma & Biotech
Frontiers in Genetics
Telomere Length as a Marker of Biological Age: State-of-the-Art, Open Issues, and Future Perspectives
Pharma & Biotech
arXiv preprint arXiv:2012.08275
High throughput screening with machine learning
Pharma & Biotech
Cryobiology