ProQSAR: A modular and reproducible framework for small-data QSAR modeling with fit-and-use models. [PDF]
Phan TM +7 more
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Advances in Low-Dimensional Materials: Synthesis, Characterization and Device Application, 2nd Edition. [PDF]
Zhang T, Zhang X.
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Q-CaDD: accelerating in silico methodologies with quantum computation and machine learning for Epidermal growth factor receptor. [PDF]
Badarala L.
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The concepts of quantum automata and quantum computation are studied in the context of quantum genetics and genetic networks with nonlinear dynamics.
Baianu,I C
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Artificial intelligence in drug discovery from advanced molecular representation to pipeline applications. [PDF]
Zhou X, Tao W.
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Virtual cell: Current perspectives and future prospects. [PDF]
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graphpancake: a Python package for representing organic molecules as molecular graphs utilizing electronic structure theory. [PDF]
Sil S, Maskeri MA, Scheidt KA.
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AI and network biology for rational polypharmacology in signaling drug design: a review. [PDF]
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MolGAN-QRL: a hybrid framework for molecule generation using quantum-enhanced reinforcement learning. [PDF]
Hergli MI, Harigua-Souiai E.
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Boosting Computational Catalysis and Chemical Reactivity with Artificial Intelligence. [PDF]
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