The chemical composition of a material alone sometimes reveals little about its properties. The decisive factor is often the arrangement of the molecules in the atomic lattice structure or on the ...
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FPSim2 is a small NumPy centric Python/C++ RDKit based package to run fast compound similarity searches. FPSim2 performs better with high search thresholds (>=0.7). Currently used in the ChEMBL and ...
Experiments have yielded a fascinating new type of matter, neither granular nor crystalline, that responds to some stresses as a fluid would and to others like a solid. The new material, known as PAM ...