化学
梅德林
认识论
工程伦理学
数据科学
心理学
管理科学
自然(考古学)
钥匙(锁)
公共关系
标识
DOI:10.1021/acs.jmedchem.5c03171
摘要
carbon atoms, H-bond acceptors, and natural product fragments, and a decreased number of carboaromatic rings. The occurrence of common ring systems increases in optimization, and on average, 70% of the starting compound structure is retained in the candidate. An extensive selection of illustrative optimization examples is presented, "lead-likeness" as a desirable attribute of starting compounds is appraised, and trends in optimization strategies are discussed.
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