Multiple computer-automated structure evaluation study of aquatic toxicity. III. Vibrio fischeriKLOPMAN, Gilles; STUART, Scott E.Environmental toxicology and chemistry. 2003, Vol 22, Num 3, pp 466-472, issn 0730-7268, 7 p.Article

A structural analysis of the differential cytotoxicity of chemicals in the NCI-60 cancer cell linesCHAKRAVARTI, Suman K; KLOPMAN, Gilles.Bioorganic & medicinal chemistry. 2008, Vol 16, Num 7, pp 4052-4063, issn 0968-0896, 12 p.Article

Benchmark Performance of MultiCASE Inc. Software in Ames Mutagenicity SetSAIAKHOV, Roustem D; KLOPMAN, Gilles.Journal of chemical information and modeling. 2010, Vol 50, Num 9, issn 1549-9596, p. 1521Article

META V. A model of photodegradation for the prediction of photoproducts of chemicals under natural-like conditionsSEDYKH, Aleksander; SAIAKHOV, Roustem; KLOPMAN, Gilles et al.Chemosphere (Oxford). 2001, Vol 45, Num 6-7, pp 971-981, issn 0045-6535Article

Optimizing Predictive Performance of CASE Ultra Expert System Models Using the Applicability Domains of Individual Toxicity AlertsCHAKRAVARTI, Suman K; SAIAKHOV, Roustem D; KLOPMAN, Gilles et al.Journal of chemical information and modeling. 2012, Vol 52, Num 10, pp 2609-2618, issn 1549-9596, 10 p.Article

ADME evaluation. 2. A computer model for the prediction of intestinal absorption in humansKLOPMAN, Gilles; STEFAN, Liliana R; SAIAKHOV, Roustem D et al.European journal of pharmaceutical sciences. 2002, Vol 17, Num 4-5, pp 253-263, issn 0928-0987, 11 p.Article

Multiple computer-automated structure evaluation model of the plasma protein binding affinity of diverse drugsSAIAKHOV, Roustem D; STEFAN, Liliana R; KLOPMAN, Gilles et al.Perspectives in drug discovery and design. 2000, Vol 19, pp 133-155, issn 0928-2866Article

Current status of methods for defining the applicability domain of (Quantitative) structure-activity relationships : The report and recommendations of ECVAM workshop 52NETZEVA, Tatiana I; WORTH, Andrew P; MYATT, Glenn et al.ATLA. Alternatives to laboratory animals. 2005, Vol 33, Num 2, pp 155-173, issn 0261-1929, 19 p.Article

Structure-specificity relationships for haloalkane dehalogenasesDAMBORSKY, Jiri; RORIJE, Emiel; JESENSKA, Andrea et al.Environmental toxicology and chemistry. 2001, Vol 20, Num 12, pp 2681-2689, issn 0730-7268Article