Development of a Method for Evaluating Drug-Likeness and Ease of Synthesis Using a Data Set in Which Compounds Are Assigned Scores Based on Chemists' Intuition

The concept of drug-likeness, an important characteristic for any compound in a screening library, is nevertheless difficult to pin down. Based on our belief that this concept is implicit within the collective experience of working chemists, we devised a data set to capture an intuitive human unders...

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Veröffentlicht in:	Journal of Chemical Information and Computer Sciences 2003-07, Vol.43 (4), p.1269-1275
Hauptverfasser:	Takaoka, Yuji, Endo, Yutaka, Yamanobe, Susumu, Kakinuma, Hiroyuki, Okubo, Taketoshi, Shimazaki, Youichi, Ota, Tomomi, Sumiya, Shigeyuki, Yoshikawa, Kensei
Format:	Artikel
Sprache:	eng
Schlagworte:	Combinatorial Chemistry Techniques - methods Neural Networks (Computer) Pharmaceutical Preparations - chemical synthesis Pharmaceutical Preparations - chemistry Structure-Activity Relationship
Online-Zugang:	Volltext
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