TI- Development of three-dimensional descriptors represented by tensors: Free energy of hydration density tensor AU- Son, SH;Han, CK;Ahn, SK;Yoon, JH;No, KT NA- SOONG SIL UNIV,DEPT CHEM,SEOUL 156743,SOUTH KOREA SOONG SIL UNIV,CAMD RES CTR,SEOUL 156743,SOUTH KOREA CHONG KUN DANG RES INST,SEOUL 152070,SOUTH KOREA JN- JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES PY- 1999 VO- 39 NO- 3 PG- 601-609 IS- 0095-2338 DT- Article AB- In order to describe the degree of interaction of a molecule with its environments by descriptors, several three-dimensional descriptors have been proposed. With the physical properties calculated around a molecule, scalar, vector, and tensor (zeroth, first, and second moments) of the physical properties were calculated and were used as descriptors for calculating the similarity index between the molecules. CR- BIOS TECHN INC, 1995, INS 2 959 DISC 2 9 5 BERTZ_SH, 1981 Vol.103 p.3599, J AM CHEM SOC BONE_RGA, 1995 Vol.13 p.201, J MOL GRAPHICS CARBO_R, 1995, MOL SIMILARITY REACT CONNOLLY_ML, 1985 Vol.107 p.1118, J AM CHEM SOC KP- ORBITAL ELECTRONEGATIVITY METHOD, MODIFIED PARTIAL EQUALIZATION, PROTEASE INHIBITORS, SHAPE-SIMILARITY, MOLECULES, DESIGN, POLYPEPTIDES, VOLUME, FIELDS, MODELS WA- indinavir, HIV, antiviral drug monitoring