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#	Item
31	Microsoft PowerPoint - SOT 2011 PL Poster FDA Krulak.ppt Add to Reading List Source URL: www.leadscope.com Language: English - Date: 2015-11-13 06:28:16 Functional groups Cheminformatics Medicinal chemistry Drug discovery Amine Aromatic amine Aromaticity Organic chemistry Quantitative structureactivity relationship Amide
32	Consensus Multiple-Potency QSAR Modeling for Prediction of Rodent Carcinogenicity EJ Matthews1 and KP Cross2 1FDA Center for Food Safety and Applied Nutrition (CFSAN), 5100 Paint Branch Parkway, College Park, MDan Add to Reading List Source URL: www.leadscope.com Language: English - Date: 2015-11-13 06:28:16 Medicinal chemistry Carcinogenesis Cheminformatics Computational chemistry Drug discovery Quantitative structureactivity relationship Carcinogen Organic food Mutagen Structureactivity relationship
33	ODYSSEY Molecular Explorer Release 5.3 Scientifically Sound Modeling for Learners and Teachers of Chemistry. New and Revised Molecular Labs  Add to Reading List Source URL: www.wavefun.com Language: English - Date: 2016-05-04 12:57:19 AP Chemistry Chemical education Cheminformatics Computational chemistry
34	Curriculum Vitae Barbara Zdrazil University of Vienna, Department of Pharmaceutical Chemistry Division of Drug Design and Medicinal Chemistry, Pharmacoinformatics Research Group A-1190, Vienna, Althanstraße 14 Add to Reading List Source URL: pharminfo.univie.ac.at Language: English - Date: 2016-01-21 04:55:30 Drug discovery Pharmaceutical industry Cheminformatics Computational chemistry Pharmacoinformatics Pharmacist Medical research
35	Characterizing the Domain of QSAR Models Predicting Genotoxicity Kevin P. Cross1, Lidiya Stavitskaya2, R. Daniel Benz2, Naomi L. Kruhlak2 1Leadscope, Inc., Columbus, OH; 2FDA Center for Drug Evaluation and Research, Sil Add to Reading List Source URL: www.leadscope.com Language: English* - Date: 2015-11-13 06:28:16 Medicinal chemistry Drug discovery Cheminformatics Computational chemistry Quantitative structureactivity relationship Machine learning Structureactivity relationship Test set Salmonella Applicability domain
36	Which is the best fingerprint for medicinal chemistry? Noel O’Boyle and Roger Sayle NextMove Software, Cambridge, UK. 1. Introduction Add to Reading List Source URL: cisrg.shef.ac.uk Language: English - Date: 2016-07-11 09:58:26 Cheminformatics Fingerprinting algorithms Chemistry Drug discovery Biometrics Fingerprint Virtual screening Medicinal chemistry Molecule Public key fingerprint
37	Characterization and Application of an External Validation Set for Salmonella Mutagenicity (Q)SAR Models Using Structural Fingerprints of Known Toxicophores Abstract # 791 Naomi L. Kruhlak1, Kevin P. Cross2, Barbara L. Add to Reading List Source URL: www.leadscope.com Language: English - Date: 2015-11-13 06:28:16 Machine learning Cheminformatics Computational chemistry Drug discovery Medicinal chemistry Quantitative structureactivity relationship Test set Autoregressive model Validation Economic model Prediction
38	Abstract Number WP233 Prediction of Acute Aquatic Toxicity Endpoints of Pharmaceuticals by QSAR modeling Sarvin Moghaddam1, D Patrick Quigley2, Stephen Page1, Raanan Bloom1, Nakissa Sadrieh1 1 Science and Research Staff Add to Reading List Source URL: www.leadscope.com Language: English - Date: 2015-11-13 16:02:25 Toxicology Medicinal chemistry Environmental toxicology Cheminformatics Drug discovery Quantitative structureactivity relationship Aquatic toxicology Toxicity Partition coefficient Ecotoxicity Fish acute toxicity syndrome Chronic toxicity
39	AstraZeneca Open Innovation AstraZeneca openinnovation Cheminformatics profile Add to Reading List Source URL: openinnovation.astrazeneca.com Language: English - Date: 2016-06-16 09:53:03
40	Microsoft Word - CXN 3rdP AZOI T&C FINAL Add to Reading List Source URL: openinnovation.astrazeneca.com Language: English - Date: 2016-06-16 09:53:03 Computational chemistry Drug discovery Cheminformatics ChemAxon Alternatives to animal testing Pharmaceutical industry Portable Document Format In silico AstraZeneca