Quantifying the hardness of bioactivity prediction tasks for transfer learning
Today, machine learning methods are widely employed in drug discovery. However, the chronic lack of data continues to hamper their further development, valid...
Publications
Encoding Protein-Ligand Interactions: Binding Affinity Prediction with Multigraph-based Modeling and Graph Convolutional Network
Machine learning models are employed to enhance the speed and provide novel insights in drug discovery due to their demonstrated effectiveness in predicting ...
Bayesian optimization for ternary complex prediction (BOTCP)
Proximity-inducing compounds (PICs) are an emergent drug technology through which a protein of interest (POI), often a drug target, is brought into the vicin...
Recognizing Arrow Of Time In The Short Stories
Recognizing arrow of time in short stories is a challenging task. i.e., given only two paragraphs, determining which comes first and which comes next is a di...
Enhanced Waddington Landscape Model with Cell-Cell Communication Can Explain Molecular Mechanisms of Self-Organization
Here, we propose a multicellular mathematical model for pattern formation during in vitro gastrulation of human ESCs. This model enhances the basic principle...
Optimum Design, Manufacturing and Experiment of a Passive Walking Biped: Effects of Structural Parameters on Efficiency, Stability and Robustness on Uneven Trains
In this research, a deployed model of biped that can be built has been considered, and then its walking performance sensitivity such as efficiency, stability...