Willem van Hoorn

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Scientist and engineer with >10 years experience in drug discovery research and informatics consulting. Broad interest in all things intersecting computers and chemistry. I am curious and always want to learn more. Specialties: Pipeline Pilot, High Throughput Screening (HTS) triage, combinatorial library design, multi-dimensional optimisation, Pareto, virtual screening, categorical (Bayesian) & regression (QSAR) modelling, creating & querying relational databases, mentoring, innovation.

pipeline pilot bayesian matched molecular pair mmp surechembl chemical structure patent accelrys reaction fingerprint chembl chug polypharmacology lda library design combinatorial chemistry chemical space

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Willem van Hoorn

Using Matched Molecular Pairs To Cluster Compounds

ChEMBL UGM May 2011

Predicting Pharmacology

Exploring virtual compound space with Bayesian statistics

Library design and series selection by Pareto ranking