TY - JOUR T1 - Training similarity measures for specific activities: Application to reduced graphs JO - Journal of Chemical Information and Modeling PY - 2006/03/01 AU - Birchall K AU - Gillet VJ AU - Harper G AU - Pickett SD ED - DO - DOI: 10.1021/ci050465e VL - 46 IS - 2 SP - 577 EP - 586 Y2 - 2024/12/28 ER -