Virtual screening with quantum computing! #Quantum_computing #chemoinformatics #memorandum

Quantum computing is one of the hot area in these days. Now google reported exciting article to nature. Quantum computing reach is also very useful for drug discovery. Some days ago I found interesting article published by researcher in 1QBit, Univ. Drive, Accenture Labs and Biogen. URL is below.A Quantum-Inspired Method for Three-Dimensional Ligand-Based Virtual

Make quantum accumulator #quantum computing #qiskit

It’s not related to today’s topic but I’m sick with back pain. I hope I will get well soon.. Somedays ago I wrote post about qiskit. I think qiskit is very interesting package for quantum computing. And I stared to learn qiskit and quantum computer. One of the interesting point of quantum computer is that

Quantum annealing for QSAR!

In the chemoinformatics area, it is important to describe molecular similarity. Merit of fingerprint bit vector based similarity calculation is speed I think. But sometime ECFP4 or any other related methods do not sense of chemst feeling. By the way graph based similarity like a MCS is useful but calculation cost is high. You know,