Nature

Interpretable machine learning rationalizes carbonic anhydrase inhibition via conformal and counterfactual prediction

Human carbonic anhydrase (hCA) isoforms IX and XII are promising anticancer targets. Yet, their selective inhibition remains elusive due to close similarity with the abundant hCA II, whose off-target ...
C&EN

Structure to Property: Chemical Element Embeddings for Predicting Electronic Properties of Crystals

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. We present a new general-purpose machine learning model that is able to predict a ...
C&EN

Open-Source Machine Learning in Computational Chemistry

Institute of Technology, Resource and Energy-Efficient Engineering (TREE), University of Applied Sciences Bonn-Rhein-Sieg, 53757 Sankt Augustin, Germany Department of Electrical Engineering, ...
Nature

Topological identification and interpretation for single-cell gene regulation elucidation across multiple platforms using scMGCA

Single-cell RNA sequencing provides high-throughput gene expression information to explore cellular heterogeneity at the individual cell level. A major challenge in characterizing high-throughput gene ...
GitHub

100-Days-of-Machine-learning

Cognitive science is the interdisciplinary, scientific study of the mind and its processes with input from linguistics, psychology, neuroscience, philosophy, computer science/artificial intelligence, ...
GitHub

AI_Quest_Academy (1).html

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