PREDICTION OF ENVIRONMENTAL TOXICITY BASED ON STRUCTURE-ACTIVITY-RELATIONSHIPS USING MECHANISTIC INFORMATION

被引：21
作者：
HERMENS, J
机构：
[1] Research Institute of Toxicology, University of Utrecht, 3508 TD Utrecht
来源：
SCIENCE OF THE TOTAL ENVIRONMENT | 1995年 / 171卷 / 1-3期
关键词：
PREDICTION MODEL; ENVIRONMENTAL TOXICITY; STRUCTURE-ACTIVITY RELATIONSHIP; MECHANISTIC INFORMATION;
D O I：
10.1016/0048-9697(95)04684-5
中图分类号：
X [环境科学、安全科学];
学科分类号：
08 ; 0830 ;
摘要：
Quantitative structure-activity relationships (QSAR) form a powerful tool in predictive toxicology. The application of predictive models, however, needs a very strict definition of the scope and limitations of such models. Therefore, it also of importance that predictive models are understood from a mechanistic point of view. In this paper, QSAR studies for two important parameters in environmental risk assessment will be discussed, namely for bioconcentration and aquatic toxicity. Emphasis will be given to a mechanistic interpretation of the models and to their practical applicability.
引用
收藏
页码：235 / 242
页数：8
相关论文
共 50 条
[31]   Quantitative structure-activity relationship methods for the prediction of the toxicity of pollutants [J].
Satpathy, Raghunath .
ENVIRONMENTAL CHEMISTRY LETTERS, 2019, 17 (01) :123-128
[32]   LONG-ACTING DIHYDROPYRIDINE CALCIUM-ANTAGONISTS .9. STRUCTURE-ACTIVITY-RELATIONSHIPS AROUND AMLODIPINE [J].
ALKER, D ;
ARROWSMITH, JE ;
CAMPBELL, SF ;
CROSS, PE .
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 1991, 26 (09) :907-913
[33]   Potential of natural products in inflammation: biological activities, structure-activity relationships, and mechanistic targets [J].
Guo, Yajing ;
Peng, Xuling ;
Liu, Fanfei ;
Zhang, Qi ;
Ding, Liqin ;
Li, Gen ;
Qiu, Feng .
ARCHIVES OF PHARMACAL RESEARCH, 2024, 47 (05) :377-409
[34]   SYNTHESIS, GASTROINTESTINAL PROKINETIC ACTIVITY AND STRUCTURE-ACTIVITY-RELATIONSHIPS OF NOVEL N-[[2-(DIALKYLAMINO)ETHOXY]BENZYL]BENZAMIDE DERIVATIVES [J].
SAKAGUCHI, J ;
NISHINO, H ;
OGAWA, N ;
IWANAGA, Y ;
YASUDA, S ;
KATO, H ;
ITO, Y .
CHEMICAL & PHARMACEUTICAL BULLETIN, 1992, 40 (01) :202-211
[35]   STRUCTURE-ACTIVITY-RELATIONSHIPS OF SOME ANTIMICROBIAL 5-SUBSTITUTED 2-(3-PYRIDYL) BENZOXAZOLES USING QUANTUM-CHEMICAL CALCULATIONS [J].
SENER, E ;
TURGUT, H ;
YALCIN, I ;
OREN, I ;
TURKER, L ;
CELEBI, N ;
AKIN, A .
INTERNATIONAL JOURNAL OF PHARMACEUTICS, 1994, 110 (02) :109-115
[36]   INHIBITORY EFFECT OF PERILLOSIDE-A AND PERILLOSIDE-C, AND RELATED MONOTERPENE GLUCOSIDES ON ALDOSE REDUCTASE AND THEIR STRUCTURE-ACTIVITY-RELATIONSHIPS [J].
FUJITA, T ;
OHIRA, K ;
MIYATAKE, K ;
NAKANO, Y ;
NAKAYAMA, M .
CHEMICAL & PHARMACEUTICAL BULLETIN, 1995, 43 (06) :920-926
[37]   GLYCYRRHETINIC ACID-DERIVATIVES AS POTENT INHIBITORS OF NA+, K+-ATPASE - SYNTHESIS AND STRUCTURE-ACTIVITY-RELATIONSHIPS [J].
TERASAWA, T ;
OKADA, T ;
HARA, T ;
ITOH, K .
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 1992, 27 (04) :345-351
[38]   EVOLUTIONARY COMPUTATION FOR REVEAL STRUCTURE-ACTIVITY-RELATIONSHIPS IN 3-PHENOXYCHROMONE AND 3-PHENOXY-4-HYDROXYCOUMARIN DERIVATIVES [J].
TETKO, IV ;
TANCHUK, VY ;
VASILEV, SA ;
KHILYA, VP ;
PODA, GI ;
LUIK, AI .
BIOORGANICHESKAYA KHIMIYA, 1995, 21 (10) :809-815
[39]   SYNTHESIS OF PROLYL ENDOPEPTIDASE INHIBITORS AND EVALUATION OF THEIR STRUCTURE-ACTIVITY-RELATIONSHIPS - IN-VITRO INHIBITION OF PROLYL ENDOPEPTIDASE FROM CANINE BRAIN [J].
ARAI, H ;
NISHIOKA, H ;
NIWA, S ;
YAMANAKA, T ;
TANAKA, Y ;
YOSHINAGA, K ;
KOBAYASHI, N ;
MIURA, N ;
IKEDA, Y .
CHEMICAL & PHARMACEUTICAL BULLETIN, 1993, 41 (09) :1583-1588
[40]   RENIN INHIBITORS .2. SYNTHESIS AND STRUCTURE-ACTIVITY-RELATIONSHIPS OF N-TERMINUS MODIFIED INHIBITORS CONTAINING A HOMOSTATINE ANALOG [J].
ATSUUMI, S ;
NAKANO, M ;
KOIKE, Y ;
TANAKA, S ;
FUNABASHI, H ;
MATSUYAMA, K ;
NAKANO, M ;
SAWASAKI, Y ;
FUNABASHI, K ;
MORISHIMA, H .
CHEMICAL & PHARMACEUTICAL BULLETIN, 1992, 40 (12) :3214-3221
12345