Class information for:
Level 1: K TOVS SOLUT CHEM//AQUEOUS SOLUBILITY//GENERAL SOLUBILITY EQUATION

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
17560 593 32.3 59%


Bar chart of Publication_year

Last years might be incomplete

Hierarchy of classes
The table includes all classes above and classes immediately below the current class.


Cluster id Level Cluster label #P
5 4 CHEMISTRY, ORGANIC//CHEMISTRY, INORGANIC & NUCLEAR//CHEMISTRY, MULTIDISCIPLINARY 1745167
430 3       JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES//JOURNAL OF CHEMICAL INFORMATION AND MODELING//QSAR 27693
1068 2             WIENER INDEX//QSAR//MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY 9972
17560 1                   K TOVS SOLUT CHEM//AQUEOUS SOLUBILITY//GENERAL SOLUBILITY EQUATION 593

Terms with highest relevance score


rank Term termType Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 K TOVS SOLUT CHEM address 445032 2% 79% 11
2 AQUEOUS SOLUBILITY authKW 413572 7% 18% 44
3 GENERAL SOLUBILITY EQUATION authKW 205967 1% 100% 4
4 SOLUBILITY PH PROFILE authKW 205967 1% 100% 4
5 SHAKE FLASK METHOD authKW 164764 1% 40% 8
6 COMP AIDED MOL DESIGN address 151926 4% 13% 22
7 INTRINSIC SOLUBILITY authKW 128725 1% 50% 5
8 PHYSIOL ACTIVE CPDS address 115855 1% 75% 3
9 AQUAFAC authKW 102984 0% 100% 2
10 CHEQSOL authKW 102984 0% 100% 2

Web of Science journal categories


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 Chemistry, Medicinal 4116 25% 0% 148
2 Computer Science, Interdisciplinary Applications 2752 19% 0% 111
3 Pharmacology & Pharmacy 1664 32% 0% 190
4 Chemistry, Multidisciplinary 1254 31% 0% 184
5 Thermodynamics 386 7% 0% 42
6 Engineering, Chemical 334 11% 0% 66
7 Environmental Sciences 282 12% 0% 72
8 Computer Science, Information Systems 205 5% 0% 32
9 Mathematical & Computational Biology 87 3% 0% 15
10 Engineering, Environmental 65 3% 0% 19

Address terms


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 K TOVS SOLUT CHEM 445032 2% 79% 11
2 COMP AIDED MOL DESIGN 151926 4% 13% 22
3 PHYSIOL ACTIVE CPDS 115855 1% 75% 3
4 NUTR ENVIRONM HLTH SCI 102984 0% 100% 2
5 PHYSIOL ACT CPDS 83223 5% 6% 29
6 258 1 CHOME HIROMACHI 51492 0% 100% 1
7 ALBANY MOL BOTHEL 51492 0% 100% 1
8 ANALYT DMPK COMPOUND MANAGEMENT GRP 51492 0% 100% 1
9 ANALYT SCI ANSCI 51492 0% 100% 1
10 ANALYT SMALL MOL DISCOVERY CHEM 51492 0% 100% 1

Journals


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES 32196 7% 1% 42
2 JOURNAL OF CHEMICAL INFORMATION AND MODELING 16940 5% 1% 32
3 QSAR & COMBINATORIAL SCIENCE 6709 2% 1% 9
4 JOURNAL OF PHARMACEUTICAL SCIENCES 6604 6% 0% 38
5 SAR AND QSAR IN ENVIRONMENTAL RESEARCH 4172 1% 1% 8
6 INTERNATIONAL JOURNAL OF PHARMACEUTICS 2890 5% 0% 30
7 JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN 2344 2% 1% 9
8 MOLECULAR PHARMACEUTICS 2337 2% 0% 12
9 CHEMOSPHERE 1797 5% 0% 28
10 MOLECULAR INFORMATICS 1670 1% 1% 4

Author Key Words


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class		 LCSH search Wikipedia search
1 AQUEOUS SOLUBILITY 413572 7% 18% 44 Search AQUEOUS+SOLUBILITY Search AQUEOUS+SOLUBILITY
2 GENERAL SOLUBILITY EQUATION 205967 1% 100% 4 Search GENERAL+SOLUBILITY+EQUATION Search GENERAL+SOLUBILITY+EQUATION
3 SOLUBILITY PH PROFILE 205967 1% 100% 4 Search SOLUBILITY+PH+PROFILE Search SOLUBILITY+PH+PROFILE
4 SHAKE FLASK METHOD 164764 1% 40% 8 Search SHAKE+FLASK+METHOD Search SHAKE+FLASK+METHOD
5 INTRINSIC SOLUBILITY 128725 1% 50% 5 Search INTRINSIC+SOLUBILITY Search INTRINSIC+SOLUBILITY
6 AQUAFAC 102984 0% 100% 2 Search AQUAFAC Search AQUAFAC
7 CHEQSOL 102984 0% 100% 2 Search CHEQSOL Search CHEQSOL
8 DRUG AND DRUG LIKE MOLECULES 102984 0% 100% 2 Search DRUG+AND+DRUG+LIKE+MOLECULES Search DRUG+AND+DRUG+LIKE+MOLECULES
9 H BOND FACTORS 102984 0% 100% 2 Search H+BOND+FACTORS Search H+BOND+FACTORS
10 HYDROGEN BOND ACCEPTOR AND DONOR FACTORS 102984 0% 100% 2 Search HYDROGEN+BOND+ACCEPTOR+AND+DONOR+FACTORS Search HYDROGEN+BOND+ACCEPTOR+AND+DONOR+FACTORS

Core articles
The table includes core articles in the class. The following variables is taken into account for the relevance score of an article in a cluster c:
(1) Number of references referring to publications in the class.
(2) Share of total number of active references referring to publications in the class.
(3) Age of the article. New articles get higher score than old articles.
(4) Citation rate, normalized to year.


Rank Reference # ref.
in cl.		 Shr. of ref. in
cl.		 Citations
1 DEARDEN, JC , (2006) IN SILICO PREDICTION OF AQUEOUS SOLUBILITY.EXPERT OPINION ON DRUG DISCOVERY. VOL. 1. ISSUE 1. P. 31 -52 77 64% 48
2 BALAKIN, KV , SAVCHUK, NP , TETKO, IV , (2006) IN SILICO APPROACHES TO PREDICTION OF AQUEOUS AND DMSO SOLUBILITY OF DRUG-LIKE COMPOUNDS: TRENDS, PROBLEMS AND SOLUTIONS.CURRENT MEDICINAL CHEMISTRY. VOL. 13. ISSUE 2. P. 223-241 57 52% 83
3 WANG, JM , HOU, TJ , (2011) RECENT ADVANCES ON AQUEOUS SOLUBILITY PREDICTION.COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING. VOL. 14. ISSUE 5. P. 328-338 39 64% 35
4 CHEVILLARD, F , LAGORCE, D , REYNES, C , VILLOUTREIX, BO , VAYER, P , MITEVA, MA , (2012) IN SILICO PREDICTION OF AQUEOUS SOLUBILITY: A MULTIMODEL PROTOCOL BASED ON CHEMICAL SIMILARITY.MOLECULAR PHARMACEUTICS. VOL. 9. ISSUE 11. P. 3127 -3135 31 79% 6
5 ERIC, S , KALINIC, M , POPOVIC, A , MAKIC, H , CIVIC, E , BEKTASEVIC, M , (2010) THE IMPORTANCE OF THE ACCURACY OF THE EXPERIMENTAL DATA FOR THE PREDICTION OF SOLUBILITY.JOURNAL OF THE SERBIAN CHEMICAL SOCIETY. VOL. 75. ISSUE 4. P. 483-495 29 91% 1
6 SCHAPER, KJ , KUNZ, B , RAEVSKY, OA , (2004) ANALYSIS OF WATER SOLUBILITY DATA ON THE BASIS OF HYBOT DESCRIPTORS PART 2. SOLUBILITY OF LIQUID CHEMICALS AND DRUGS.QSAR & COMBINATORIAL SCIENCE. VOL. 22. ISSUE 9-10. P. 943 -958 44 70% 3
7 DELANEY, JS , (2005) PREDICTING AQUEOUS SOLUBILITY FROM STRUCTURE.DRUG DISCOVERY TODAY. VOL. 10. ISSUE 4. P. 289-295 35 73% 105
8 WANG, YL , HU, YD , LI, GD , WEI, QS , (2007) APPLICATION OF HIGH-ORDER MCI METHOD TO PREDICT AQUEOUS SOLUBILITY OF ALIPHATIC ALCOHOLS.ASIAN JOURNAL OF CHEMISTRY. VOL. 19. ISSUE 6. P. 4512-4522 33 79% 1
9 SALAHINEJAD, M , LE, TC , WINKLER, DA , (2013) AQUEOUS SOLUBILITY PREDICTION: DO CRYSTAL LATTICE INTERACTIONS HELP?.MOLECULAR PHARMACEUTICS. VOL. 10. ISSUE 7. P. 2757-2766 34 58% 14
10 WANG, YL , HU, YD , WU, LY , AN, WZ , (2006) PREDICTING AQUEOUS SOLUBILITY OF CHLORINATED HYDROCARBONS BY THE MCI APPROACH.INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES. VOL. 7. ISSUE 2. P. 47 -58 29 83% 5

Classes with closest relation at Level 1


Rank Class id link
1 3807 QSPR//QSAR//CORAL SOFTWARE
2 3096 JOUYBAN ACREE MODEL//SOLUTION THERMODYNAMICS//GRP INVEST FARMACEUT FISICOQUIM
3 18297 FULL EVAPORATION//HENRYS LAW CONSTANT//SETSCHENOW CONSTANT
4 1901 BIOPHARMACEUTICS CLASSIFICATION SYSTEM//ORAL ABSORPTION//CACO 2
5 1013 LIFE SCI INFORMAT//B IT//LIMES PROGRAM UNIT CHEM BIOL MED CHEM
6 20325 LOGBB//BLOOD BRAIN PARTITIONING//PAMPA BBB
7 4126 LIPOPHILICITY//RP TLC//IMMOBILIZED ARTIFICIAL MEMBRANE
8 10176 SOLVATION PARAMETER MODEL//MOLECULAR SOLUTE DESCRIPTORS//LINEAR SOLVATION ENERGY RELATIONSHIPS
9 21935 COMPOUND MANAGEMENT//ACOUSTIC DROPLET EJECTION//ASSAY READY PLATES
10 14562 PULSE HEATING METHOD//CRITICAL PROPERTIES//ACENTRIC FACTOR

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