Class information for:
Level 1: CRYSTAL STRUCTURE PREDICTION//SOLID STATE GRP//INTERMOLECULAR FORCE FIELD

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
16237 665 35.9 62%


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
292 3       CRYSTALLOGRAPHY//ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE//ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS 41672
1507 2             CRYSTAL STRUCTURE PREDICTION//PLASTIC CRYSTALS//GRP CARACTERITZACIO MAT 7530
16237 1                   CRYSTAL STRUCTURE PREDICTION//SOLID STATE GRP//INTERMOLECULAR FORCE FIELD 665

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 CRYSTAL STRUCTURE PREDICTION authKW 1009357 8% 42% 52
2 SOLID STATE GRP address 433681 4% 34% 28
3 INTERMOLECULAR FORCE FIELD authKW 137750 0% 100% 3
4 PFIZER PHARMACEUT MAT SCI address 123989 3% 16% 17
5 MOLECULAR ELECTRIC POTENTIAL authKW 103311 0% 75% 3
6 AB INITIO CRYSTAL STRUCTURE PREDICTION authKW 91833 0% 100% 2
7 CRYSTALOPTIMIZER authKW 91833 0% 100% 2
8 CRYSTALPREDICTOR authKW 91833 0% 100% 2
9 DISCRETE MOLECULAR MODELING authKW 91833 0% 100% 2
10 LATTICE ENERGY LANDSCAPES authKW 91833 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 Crystallography 21722 49% 0% 323
2 Chemistry, Multidisciplinary 3265 45% 0% 302
3 Chemistry, Physical 783 25% 0% 165
4 Physics, Atomic, Molecular & Chemical 573 13% 0% 84
5 Materials Science, Multidisciplinary 113 12% 0% 83
6 Materials Science, Textiles 7 0% 0% 3
7 Chemistry, Inorganic & Nuclear 5 2% 0% 14
8 Chemistry, Medicinal 4 2% 0% 10
9 Chemistry, Applied 3 2% 0% 10
10 Pharmacology & Pharmacy 1 4% 0% 24

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 SOLID STATE GRP 433681 4% 34% 28
2 PFIZER PHARMACEUT MAT SCI 123989 3% 16% 17
3 DIPARTIMENTO CHIM STRUTTURALE STEREOCHIM INORGA 88738 4% 7% 27
4 AVANT GARDE MAT SIMULAT 45917 0% 100% 1
5 CAOS CAMM CMBI 45917 0% 100% 1
6 CEMRX 45917 0% 100% 1
7 CHAIR THEORET CHEM CATALYSIS 45917 0% 100% 1
8 CIRIMATEQUIPTE PHYS CHIM PHOSPHATES 45917 0% 100% 1
9 CRISTALLOG ONANCE MAGNET MODELISAT CRM2 UMR 45917 0% 100% 1
10 EDUC PROGRAMS ADV SIMULAT ENGN 45917 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 ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS 27392 6% 1% 42
2 CRYSTAL GROWTH & DESIGN 24776 10% 1% 68
3 CRYSTENGCOMM 11624 7% 1% 48
4 ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE 5830 3% 1% 19
5 ACTA CRYSTALLOGRAPHICA SECTION A 5822 3% 1% 17
6 ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE 2880 5% 0% 33
7 JOURNAL OF COMPUTATIONAL CHEMISTRY 2680 3% 0% 19
8 JOURNAL OF CHEMICAL THEORY AND COMPUTATION 1669 2% 0% 13
9 ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS 1645 4% 0% 25
10 CRYSTALLOGRAPHY REPORTS 1072 1% 0% 9

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 CRYSTAL STRUCTURE PREDICTION 1009357 8% 42% 52 Search CRYSTAL+STRUCTURE+PREDICTION Search CRYSTAL+STRUCTURE+PREDICTION
2 INTERMOLECULAR FORCE FIELD 137750 0% 100% 3 Search INTERMOLECULAR+FORCE+FIELD Search INTERMOLECULAR+FORCE+FIELD
3 MOLECULAR ELECTRIC POTENTIAL 103311 0% 75% 3 Search MOLECULAR+ELECTRIC+POTENTIAL Search MOLECULAR+ELECTRIC+POTENTIAL
4 AB INITIO CRYSTAL STRUCTURE PREDICTION 91833 0% 100% 2 Search AB+INITIO+CRYSTAL+STRUCTURE+PREDICTION Search AB+INITIO+CRYSTAL+STRUCTURE+PREDICTION
5 CRYSTALOPTIMIZER 91833 0% 100% 2 Search CRYSTALOPTIMIZER Search CRYSTALOPTIMIZER
6 CRYSTALPREDICTOR 91833 0% 100% 2 Search CRYSTALPREDICTOR Search CRYSTALPREDICTOR
7 DISCRETE MOLECULAR MODELING 91833 0% 100% 2 Search DISCRETE+MOLECULAR+MODELING Search DISCRETE+MOLECULAR+MODELING
8 LATTICE ENERGY LANDSCAPES 91833 0% 100% 2 Search LATTICE+ENERGY+LANDSCAPES Search LATTICE+ENERGY+LANDSCAPES
9 N ETHYLAMINES 91833 0% 100% 2 Search N+ETHYLAMINES Search N+ETHYLAMINES
10 PIXEL METHOD 91833 0% 100% 2 Search PIXEL+METHOD Search PIXEL+METHOD

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 DAY, GM , (2011) CURRENT APPROACHES TO PREDICTING MOLECULAR ORGANIC CRYSTAL STRUCTURES.CRYSTALLOGRAPHY REVIEWS. VOL. 17. ISSUE 1. P. 3 -52 102 68% 69
2 PRICE, SL , (2008) COMPUTATIONAL PREDICTION OF ORGANIC CRYSTAL STRUCTURES AND POLYMORPHISM.INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY. VOL. 27. ISSUE 3. P. 541 -568 76 53% 65
3 HABGOOD, M , SUGDEN, IJ , KAZANTSEV, AV , ADJIMAN, CS , PANTELIDES, CC , (2015) EFFICIENT HANDLING OF MOLECULAR FLEXIBILITY IN AB INITIO GENERATION OF CRYSTAL STRUCTURES.JOURNAL OF CHEMICAL THEORY AND COMPUTATION. VOL. 11. ISSUE 4. P. 1957 -1969 44 68% 8
4 BEYER, T , LEWIS, T , PRICE, SL , (2001) WHICH ORGANIC CRYSTAL STRUCTURES ARE PREDICTABLE BY LATTICE ENERGY MINIMISATION?.CRYSTENGCOMM. VOL. . ISSUE 44. P. - 49 94% 40
5 PANTELIDES, CC , ADJIMAN, CS , KAZANTSEV, AV , (2014) GENERAL COMPUTATIONAL ALGORITHMS FOR AB INITIO CRYSTAL STRUCTURE PREDICTION FOR ORGANIC MOLECULES.PREDICTION AND CALCULATION OF CRYSTAL STRUCTURES: METHODS AND APPLICATIONS. VOL. 345. ISSUE . P. 25 -58 44 72% 9
6 PRICE, SL , (2009) COMPUTED CRYSTAL ENERGY LANDSCAPES FOR UNDERSTANDING AND PREDICTING ORGANIC CRYSTAL STRUCTURES AND POLYMORPHISM.ACCOUNTS OF CHEMICAL RESEARCH. VOL. 42. ISSUE 1. P. 117 -126 35 73% 172
7 BARDWELL, DA , ADJIMAN, CS , ARNAUTOVA, YA , BARTASHEVICH, E , BOERRIGTER, SXM , BRAUN, DE , CRUZ-CABEZA, AJ , DAY, GM , DELLA VALLE, RG , DESIRAJU, GR , ET AL (2011) TOWARDS CRYSTAL STRUCTURE PREDICTION OF COMPLEX ORGANIC COMPOUNDS - A REPORT ON THE FIFTH BLIND TEST.ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS. VOL. 67. ISSUE . P. 535 -551 37 62% 151
8 VASILEIADIS, M , PANTELIDES, CC , ADJIMAN, CS , (2015) PREDICTION OF THE CRYSTAL STRUCTURES OF AXITINIB, A POLYMORPHIC PHARMACEUTICAL MOLECULE.CHEMICAL ENGINEERING SCIENCE. VOL. 121. ISSUE . P. 60 -76 44 56% 13
9 PRICE, SL , (2014) PREDICTING CRYSTAL STRUCTURES OF ORGANIC COMPOUNDS.CHEMICAL SOCIETY REVIEWS. VOL. 43. ISSUE 7. P. 2098 -2111 27 61% 113
10 PRICE, SL , (2013) WHY DON'T WE FIND MORE POLYMORPHS?.ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS. VOL. 69. ISSUE . P. 313 -328 54 43% 48

Classes with closest relation at Level 1


Rank Class id link
1 977 COCRYSTAL//CRYSTAL GROWTH & DESIGN//CO CRYSTAL
2 20435 F CENTER DOT CENTER DOT CENTER DOT H//POLYFLUORINATED ENAMINOIMINES//AND F CENTER DOT CENTER DOT CENTER DOT F INTERMOLECULAR INTERACTIONS
3 12987 REC 008//AMINO ACID CRYSTAL//SOLID STATE CHEM MECHANOCHEM
4 20873 FERMI RESONANCE FR//1 4 BROMOCHLOROBENZENE//ANHARMONIC LINEWIDTH CALCULATION
5 27479 5 HYDROXY 6 METHYLURACIL//1 5 HYDROXY 4 HYDROXYMETHYL 1 METHYL 1H PYRROL 2 YL HENICOSA 2 12 15 TRIEN 1 ONE//2 2 MORPHOLINO 4 5 DIHYDROFULVENYLBENZIMIDAZOLE
6 31639 CYCLOALCANES//MOLECULAR CONFORMATIONAL SPACE//FRE 2411
7 5252 POLARIZABLE FORCE FIELD//QUANTUM CHEMICAL TOPOLOGY//JOURNAL OF COMPUTATIONAL CHEMISTRY
8 25923 UV CHERENKOV LIGHT//ALKALI METAL CHALCOGENIDES//RUBIDIUM TELLURIDE
9 4374 POLYMORPH//HYDRATE//PSEUDOPOLYMORPHISM
10 36691 2 AMINOHYDROQUINONE//2 TRIFLUOROACETYLAMINOBENZOQUINONE//21H QUINOLYLIDENE

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