Thats a unique idea.You should consider the following idea to enhance your idea so that it would impact uniquely: A systematic analysis of one-to-one chemical replacements occurring in a set of 50 000 druglike molecules was performed. The frequency of occurrence, as ll as the average change in measured and calculated properties, was computed for each observed substitution. The experimental properties considered re solubility, protein binding, and logD. The calculated properties re logP, molecular ight, number of hydrogen bond donors and acceptors, and polar surface area. During this analysis, in which 9000 different functional groups re considered, 0.7 million substitutions re identified and stored in a database. As an application,  present a b interface from which users can identify historically observed replacements of any functional group on their query molecule. The server returns a list of side-chains, as ll as the historically observed shift in experimental properties.
['David Y. Haubertin', 'Pierre Bruneau']
I am writing a research paper on a idea A database of historically-observed chemical replacements
[{"from": "human", "value": "I am writing a research paper on a idea A database of historically-observed chemical replacements"}, {"from": "gpt", "value": "Thats a unique idea.You should consider the following idea to enhance your idea so that it would impact uniquely: A systematic analysis of one-to-one chemical replacements occurring in a set of 50 000 druglike molecules was performed. The frequency of occurrence, as ll as the average change in measured and calculated properties, was computed for each observed substitution. The experimental properties considered re solubility, protein binding, and logD. The calculated properties re logP, molecular ight, number of hydrogen bond donors and acceptors, and polar surface area. During this analysis, in which 9000 different functional groups re considered, 0.7 million substitutions re identified and stored in a database. As an application,  present a b interface from which users can identify historically observed replacements of any functional group on their query molecule. The server returns a list of side-chains, as ll as the historically observed shift in experimental properties."}]