TY - JOUR T1 - Effectiveness of graph-based and fingerprint-based similarity measures for virtual screening of 2D chemical structure databases JO - Journal of Computer-Aided Molecular Design UR - http://eprints.whiterose.ac.uk/3567/ PY - 2002/01/01 AU - Raymond JW AU - Willett P ED - DO - DOI: 10.1023/A:1016387816342 VL - 16 IS - 1 SP - 59 EP - 71 Y2 - 2024/12/28 ER -