{In this|Within this} paper we {develop|create} a formal definition of chemical space as a discrete metric space of molecules and analyze its properties. To this {end|finish}, we {utilize|make use of|use} the shortest path metric on reaction networks to define a distance function {between|in between|among|amongst|involving} molecules {of the|from the|in the|on the|with the|of your} {same|exact same|identical|very same|similar} stoichiometry ({number of|quantity of|variety of} atoms). The distance {between|in between|among|amongst|involving} molecules with {different|various|distinct|diverse|unique|distinctive} stoichiometries is formalized by {making|creating|producing|generating} use {of the|from the|in the|on the|with the|of your} partial ordering of stoichiometries with respect to inclusion. Calculations of fractal dimension on metric spaces for {individual|person} stoichiometries show that {they have|they’ve} low intrinsic dimensionality, about an order of magnitude {less|much less|significantly less} than the dimension {of the|from the|in the|on the|with the|of your} underlying reactive {potential|possible|prospective} {energy|power} surface. Our findings {suggest|recommend} that {efficient|effective} search {strategies|methods|techniques|approaches|tactics} on chemical space {can be|may be|could be|might be|is often|is usually} {designed|developed|created|made} that {take advantage of|make the most of|benefit from|reap the benefits of} its metric structure. Price of 270065-78-6 1782555-45-6 Order PMID:23291014
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