RT @med_chemist: Bob's Med Chem Fact of the Day: It can pay to look back through your list of discarded HTS hits and see if there is anyth…
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@Dereklowe I highly suggest this as a learning experience -- and going back through the papers to see how uncertain it all was! I did this for Xarelto a bit ago: https://t.co/uM8kaRa2CR
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Bob's Med Chem Fact of the Day: It can pay to look back through your list of discarded HTS hits and see if there is anything you missed. Hit 3 below led to Xarelto (https://t.co/47FHwyxkc7) https://t.co/NW2ngtr7vE It was initially ignored, and provides
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RT @Tatsu_Fujimoto: ファクターXa阻害薬リバロキサバンのクロロ基導入による活性向上は、ピッタリ嵌まるくぼみとの相互作用のみならず、その疎水性のくぼみに溶媒和できずに不安定に存在する高エネルギー水を弾き出すエントロピー項の寄与もあると言われている。重原子1つで…