title: From Hits to Leads: Challenges for the Next Phase of Machine Learning in Medicinal Chemistry.
authors.affiliation: Department of Chemistry and Applied Biosciences, ETH, Wolfgang-Pauli-Str. 10, CH-8093 Zurich, Switzerland fax: (+)41 44 633 13 79 homepage: www.modlab.ethz.ch. gisbert.schneider@pharma.ethz.ch.
authors.forename: Gisbert
authors.initials: G
authors.lastname: Schneider
keywords: Computational chemistry; Drug design; Machine learning; Medicinal chemistry; Virtual screening